Geometry & MOs

Info

ID:	77569
PubChem CID:	49655514
Reduced:	N3O5C21H21 (1)
Stoich.:	A3B5C21D21 (1)
Weight, g/mol:	419.220892
ΔH_f, kcal/mol:	-113.74
Dipole, Da:	5.9
IP(EA), eV:	-8.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]-2-[1-[(4-oxoquinazolin-3-yl)methyl]cyclohexyl]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N2C=NC3=C2NC(=O)CC3C4=CC(=C(C=C4)OC)O

DOS

IR

Vibrations