Geometry & MOs

Info

ID:	204927
PubChem CID:	80033406
Reduced:	ON3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	42.16
Dipole, Da:	6.55
IP(EA), eV:	-8.58(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[methyl(pentan-2-yl)amino]benzonitrile

Drug info:

PubChemData

Smile

CN(CC1=CC=CO1)C2=CC(=C(C=C2)C#N)N

DOS

IR

Vibrations