Geometry & MOs

Info

ID:	397582
PubChem CID:	135030420
Reduced:	NOSH13C19 (1)
Stoich.:	ABCD13E19 (1)
Weight, g/mol:	69.064531
ΔH_f, kcal/mol:	52.41
Dipole, Da:	3.71
IP(EA), eV:	-8.73(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methylamino)acetonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=CC3=CC=CC=C3C2=O)C4=CC=CS4

DOS

IR

Vibrations