Geometry & MOs

Info

ID:	286819
PubChem CID:	104222514
Reduced:	ON7C11H13 (1)
Stoich.:	AB7C11D13 (1)
Weight, g/mol:	264.112344
ΔH_f, kcal/mol:	108.28
Dipole, Da:	11.07
IP(EA), eV:	-9.87(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[5-(aminomethyl)pyrimidin-2-yl]benzimidazol-2-yl]acetonitrile

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)N2C=NC(=N2)C#N

DOS

IR

Vibrations