Geometry & MOs

Info

ID:	40373
PubChem CID:	8144009
Reduced:	N4O4C18H27 (1)
Stoich.:	A4B4C18D27 (1)
Weight, g/mol:	362.195405
ΔH_f, kcal/mol:	-112.44
Dipole, Da:	7.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763050
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl-methylamino]-N,N-diethylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C[NH+](C)CC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

DOS

IR

Vibrations