Geometry & MOs

Info

ID:	28892
PubChem CID:	830385
Reduced:	NCl2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	291.102606
ΔH_f, kcal/mol:	-82.81
Dipole, Da:	5.11
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,4S)-N-(2-chlorophenyl)-3,3-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxamide

Drug info:

PubChemData

Smile

CC1([C@@H]2CC[C@@](C2)(C1=O)C(=O)NC3=C(C(=CC=C3)Cl)Cl)C

DOS

IR

Vibrations