Geometry & MOs

Info

ID:	299877
PubChem CID:	117819423
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	247.157229
ΔH_f, kcal/mol:	-104.78
Dipole, Da:	3.29
IP(EA), eV:	-8.93(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(phenylmethoxymethyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(=O)N(C(=O)C1)C2=CC=C(C=C2)C(C)(C)C)C

DOS

IR

Vibrations