Geometry & MOs

Info

ID:	40369
PubChem CID:	8144004
Reduced:	ClO2N4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	336.135304
ΔH_f, kcal/mol:	-49.26
Dipole, Da:	4.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763911
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-chloro-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=C(N1)C=C(C=C2)Cl

DOS

IR

Vibrations