Geometry & MOs

Info

ID:	438686
PubChem CID:	135228436
Reduced:	NO3C22H33 (1)
Stoich.:	AB3C22D33 (1)
Weight, g/mol:	301.240565
ΔH_f, kcal/mol:	-162.36
Dipole, Da:	4.92
IP(EA), eV:	-9.53(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1CCC(CC1C(=O)NCC(C2=CC=CC=C2)OC(=O)C)(C)C

DOS

IR

Vibrations