Geometry & MOs

Info

ID:	51651
PubChem CID:	12014357
Reduced:	NO2C19H21 (1)
Stoich.:	AB2C19D21 (1)
Weight, g/mol:	295.157229
ΔH_f, kcal/mol:	-38.78
Dipole, Da:	3.97
IP(EA), eV:	-9.31(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,10R,11R)-3-(4-methylphenyl)-4-oxa-8-azatetracyclo[9.2.1.02,10.03,8]tetradec-12-en-9-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@]23[C@H]4[C@H]5C[C@@H]([C@H]4C(=O)N2CCCO3)C=C5

DOS

IR

Vibrations