Geometry & MOs

Info

ID:	196836
PubChem CID:	78884690
Reduced:	ON4C22H24 (1)
Stoich.:	AB4C22D24 (1)
Weight, g/mol:	322.204513
ΔH_f, kcal/mol:	36.83
Dipole, Da:	5.39
IP(EA), eV:	-7.61(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylphenyl)-N-(1-pyridin-4-ylethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC=C2)C(=O)NC3=C(C=C(C=C3)N4CCCC4)C

DOS

IR

Vibrations