Geometry & MOs

Info

ID:	174422
PubChem CID:	75761153
Reduced:	NOC16H21 (2)
Stoich.:	ABC16D21 (2)
Weight, g/mol:	460.308979
ΔH_f, kcal/mol:	-73.46
Dipole, Da:	3.3
IP(EA), eV:	-9.19(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-methylphenyl)-2-oxoethyl]-2,6,6-trimethyl-N-phenylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(CC2CC1C2(C)C)C(=O)N(C3=CC=CC=C3)C(C4=CC=C(C=C4)C)C(=O)NC5CCCCC5

DOS

IR

Vibrations