Geometry & MOs

Info

ID:	174402
PubChem CID:	75761133
Reduced:	Cl2N2O2C29H36 (1)
Stoich.:	A2B2C2D29E36 (1)
Weight, g/mol:	514.215384
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	4.0
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(butylamino)-1-(2,6-dichlorophenyl)-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=C(C=CC=C4Cl)Cl)C(=O)NC(C)(C)C

DOS

IR

Vibrations