Geometry & MOs

Info

ID:	122086
PubChem CID:	50793197
Reduced:	N2O3C14H14 (2)
Stoich.:	A2B3C14D14 (2)
Weight, g/mol:	426.153934
ΔH_f, kcal/mol:	-181.7
Dipole, Da:	3.74
IP(EA), eV:	-8.75(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-amino-2-oxoethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2C3=CC(=C(C=C3C(=O)N(C2=O)CC4=CC=C(C=C4)C(=O)NC)OC)OC

DOS

IR

Vibrations