Geometry & MOs

Info

ID:	380850
PubChem CID:	134971424
Reduced:	NO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-44.16
Dipole, Da:	4.65
IP(EA), eV:	-9.67(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-3-acetyl-N-[(1R)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)NC(=O)[C@@H]2[C@H]3C[C@@H]([C@H]2C(=O)C)C=C3

DOS

IR

Vibrations