Geometry & MOs

Info

ID:	122087
PubChem CID:	50793252
Reduced:	N4O6C21H22 (1)
Stoich.:	A4B6C21D22 (1)
Weight, g/mol:	547.187399
ΔH_f, kcal/mol:	-199.43
Dipole, Da:	4.72
IP(EA), eV:	-8.81(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-chlorophenyl)methyl]-6,7-dimethoxy-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CN2C(=O)C3=CC(=C(C=C3N(C2=O)CC(=O)N)OC)OC

DOS

IR

Vibrations