Geometry & MOs

Info

ID:

165982

PubChem CID:

74621441

Reduced:

NPO3C14H15 (1)

Stoich.:

ABC3D14E15 (1)

Weight, g/mol:

421.200156

ΔHf, kcal/mol:

-130.55

Dipole, Da:

6.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.105898

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidine-1-carbonyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(NC2=CC=CC=C2)P(=O)(O)[O-]

DOS

IR

Vibrations