Geometry & MOs

Info

ID:	49104
PubChem CID:	11528715
Reduced:	N4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	228.162649
ΔH_f, kcal/mol:	116.27
Dipole, Da:	2.9
IP(EA), eV:	-9.04(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dimethylamino)phenyl]cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

C1[C@@H]2[C@@H](C2CN=[N+]=[N-])CN1CC3=CC=CC=C3

DOS

IR

Vibrations