Geometry & MOs

Info

ID:	147750
PubChem CID:	53787408
Reduced:	OSC4N4H6 (1)
Stoich.:	ABC4D4E6 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	7.97
Dipole, Da:	3.33
IP(EA), eV:	-9.16(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[[[7-(ethylamino)-6-nitroquinazolin-4-yl]amino]methyl]-N-methylanilino]ethanol

Drug info:

PubChemData

Smile

CC1=C(N=NS1)NC(=O)N

DOS

IR

Vibrations