Geometry & MOs

Info

ID:	197517
PubChem CID:	78974321
Reduced:	NC9H13 (2)
Stoich.:	AB9C13 (2)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	59.76
Dipole, Da:	3.45
IP(EA), eV:	-8.88(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[cyclopropyl(3-methylbutyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C)CCN(CC1=CC=C(C=C1)C#CCN)C2CC2

DOS

IR

Vibrations