Geometry & MOs

Info

ID:	174417
PubChem CID:	75761148
Reduced:	ClN2O2C31H39 (1)
Stoich.:	AB2C2D31E39 (1)
Weight, g/mol:	480.254356
ΔH_f, kcal/mol:	-65.53
Dipole, Da:	5.56
IP(EA), eV:	-8.68(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(4-chlorophenyl)-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)Cl)C(=O)NC5CCCCC5

DOS

IR

Vibrations