Geometry & MOs

Info

ID:

191334

PubChem CID:

78132763

Reduced:

SN3O5F6H31C32 (1)

Stoich.:

AB3C5D6E31F32 (1)

Weight, g/mol:

638.346821

ΔHf, kcal/mol:

-457.88

Dipole, Da:

11.23

IP(EA), eV:

 -9.68(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N,N-dibutyl-1-[4-(2,6-dimethoxyphenyl)-2-[3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-5-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1C(CCCN1C(=O)C2=C(C=CN=C2)C(F)(F)F)(C(=O)N3CCC4=CC=CC=C4C3CC(=O)O)OC5=CSC(=C5)C(F)(F)F

DOS

IR

Vibrations