Geometry & MOs

Info

ID:	247494
PubChem CID:	103071880
Reduced:	O2N3C8H13 (1)
Stoich.:	A2B3C8D13 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	1.36
IP(EA), eV:	-9.68(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(ethylaminomethyl)prop-2-enyl]quinazolin-4-one

Drug info:

PubChemData

Smile

CN1CC(=O)N(C1=O)CC(=C)CN

DOS

IR

Vibrations