Geometry & MOs

Info

ID:	374303
PubChem CID:	131326373
Reduced:	NOC4H6 (2)
Stoich.:	ABC4D6 (2)
Weight, g/mol:	202.121846
ΔH_f, kcal/mol:	-64.84
Dipole, Da:	5.23
IP(EA), eV:	-9.77(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6,7,8-tetrahydroquinazolin-4-ylamino)propanenitrile

Drug info:

PubChemData

Smile

COC(=O)C1CCCC(N1)C#N

DOS

IR

Vibrations