Geometry & MOs

Info

ID:	55468
PubChem CID:	17395430
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	424.17467
ΔH_f, kcal/mol:	-81.57
Dipole, Da:	2.29
IP(EA), eV:	-9.29(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[ethyl-[(4-oxo-1H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3,4-dimethoxybenzamide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC=CC(=C1)C(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations