Geometry & MOs

Info

ID:	399465
PubChem CID:	135040431
Reduced:	NC16H17 (1)
Stoich.:	AB16C17 (1)
Weight, g/mol:	238.085461
ΔH_f, kcal/mol:	74.11
Dipole, Da:	2.22
IP(EA), eV:	-8.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-aminopyridin-4-yl)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC#C/C=C\C1=CC2=CC=CC=C2N1CC

DOS

IR

Vibrations