Geometry & MOs

Info

ID:

169833

PubChem CID:

75155842

Reduced:

N4O6C33H38 (1)

Stoich.:

A4B6C33D38 (1)

Weight, g/mol:

562.279135

ΔHf, kcal/mol:

-207.74

Dipole, Da:

3.84

IP(EA), eV:

 -8.89(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CN2C3CC(CCC3C(=O)N(C2=O)C4=CC=CC=C4)C(=O)NCC5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations