Geometry & MOs

Info

ID:	18979
PubChem CID:	551966
Reduced:	O3N4C21H22 (1)
Stoich.:	A3B4C21D22 (1)
Weight, g/mol:	378.169191
ΔH_f, kcal/mol:	45.29
Dipole, Da:	9.72
IP(EA), eV:	-8.54(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-8-methoxy-2-[2-(4-nitrophenyl)ethenyl]quinazolin-4-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC2=C1C=CC=C2OC)C=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations