Geometry & MOs

Info

ID:

191243

PubChem CID:

78122272

Reduced:

O12N15C48H83 (1)

Stoich.:

A12B15C48D83 (1)

Weight, g/mol:

474.263091

ΔHf, kcal/mol:

-455.85

Dipole, Da:

12.96

IP(EA), eV:

 -8.93(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(3-hydroxyphenyl)-3-methylpiperazin-1-yl]-3-methylbutan-2-yl]-6-phenoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CCN)NC(=O)C(CCN)NC(=O)C(C(C)O)NC(=O)CCCNC)C(C)O)CCN)CCN

DOS

IR

Vibrations