Geometry & MOs

Info

ID:	197518
PubChem CID:	78974322
Reduced:	N2C15H20 (1)
Stoich.:	A2B15C20 (1)
Weight, g/mol:	246.153227
ΔH_f, kcal/mol:	53.33
Dipole, Da:	4.65
IP(EA), eV:	-8.41(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[cyclopropyl(3-methylbutyl)amino]-3-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC(C)CCN(C1CC1)C2=CC=CC=C2C#N

DOS

IR

Vibrations