Geometry & MOs

Info

ID:	296339
PubChem CID:	117569315
Reduced:	ClNOSC10H14 (1)
Stoich.:	ABCDE10F14 (1)
Weight, g/mol:	147.079647
ΔH_f, kcal/mol:	-31.39
Dipole, Da:	2.6
IP(EA), eV:	-8.27(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethylamino)benzonitrile

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)NCCCS

DOS

IR

Vibrations