Geometry & MOs

Info

ID:	304589
PubChem CID:	124756412
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	2.54
IP(EA), eV:	-8.68(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5R,6R,7R)-5-hydroxy-4-(3-methylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-en-3-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@H]([C@@H]3[C@@H]4C[C@@H]([C@H]3C2=O)C=C4)O

DOS

IR

Vibrations