Geometry & MOs

Info

ID:	438688
PubChem CID:	135228439
Reduced:	ClO2N4C26H33 (1)
Stoich.:	AB2C4D26E33 (1)
Weight, g/mol:	315.256215
ΔH_f, kcal/mol:	1.67
Dipole, Da:	9.1
IP(EA), eV:	-8.52(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,5-dimethyl-N-(2-phenylpropyl)-2-propan-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=CC(=C1)OCCCCN2C3=C(C=CCC=C3)N=C2C4CC(=O)N(C4)CNC)Cl

DOS

IR

Vibrations