Geometry & MOs

Info

ID:

169832

PubChem CID:

75155841

Reduced:

N6O6C29H30 (1)

Stoich.:

A6B6C29D30 (1)

Weight, g/mol:

586.279135

ΔHf, kcal/mol:

-149.55

Dipole, Da:

10.02

IP(EA), eV:

 -9.04(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]-2,4-dioxo-3-phenyl-4a,5,6,7,8,8a-hexahydroquinazoline-7-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C(=O)CN2C3CC(CCC3C(=O)N(C2=O)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6)N

DOS

IR

Vibrations