Geometry & MOs

Info

ID:	296314
PubChem CID:	117567364
Reduced:	FN2C12H19 (1)
Stoich.:	AB2C12D19 (1)
Weight, g/mol:	217.157898
ΔH_f, kcal/mol:	-48.03
Dipole, Da:	4.82
IP(EA), eV:	-8.34(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-amino-3,3-dimethylbutyl)amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CCNC1=CC(=CC=C1)F)CN

DOS

IR

Vibrations