Geometry & MOs

Info

ID:	205287
PubChem CID:	80080598
Reduced:	N3C13H19 (1)
Stoich.:	A3B13C19 (1)
Weight, g/mol:	215.142248
ΔH_f, kcal/mol:	26.67
Dipole, Da:	4.81
IP(EA), eV:	-8.24(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-amino-N-cyclopropyl-5-methylanilino)propanenitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)N(CCC#N)C(C)C

DOS

IR

Vibrations