Geometry & MOs

Info

ID:

91291

PubChem CID:

49974883

Reduced:

N5O5C30H39 (1)

Stoich.:

A5B5C30D39 (1)

Weight, g/mol:

603.34207

ΔHf, kcal/mol:

-181.87

Dipole, Da:

4.53

IP(EA), eV:

 -8.86(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-methyl-3-(3-methylpiperidine-1-carbonyl)phenyl]-1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)N(C)C

DOS

IR

Vibrations