Geometry & MOs

Info

ID:	174076
PubChem CID:	75720421
Reduced:	ClN2O2C27H35 (1)
Stoich.:	AB2C2D27E35 (1)
Weight, g/mol:	508.285656
ΔH_f, kcal/mol:	-104.45
Dipole, Da:	4.17
IP(EA), eV:	-9.14(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2,4-dimethylphenyl)-2-oxoethyl]-N-(2-chlorophenyl)-2,6,6-trimethylbicyclo[3.1.1]heptane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC=CC=C3Cl)C(=O)CC(C)C)C

DOS

IR

Vibrations