Geometry & MOs

Info

ID:	27805
PubChem CID:	823683
Reduced:	ON2C17H20 (1)
Stoich.:	AB2C17D20 (1)
Weight, g/mol:	218.141913
ΔH_f, kcal/mol:	-8.8
Dipole, Da:	5.09
IP(EA), eV:	-9.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(pyridin-4-ylmethyl)cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations