Geometry & MOs

Info

ID:	21218
PubChem CID:	587705
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	302.199428
ΔH_f, kcal/mol:	-102.26
Dipole, Da:	3.52
IP(EA), eV:	-8.65(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN2C3CCC2CC(C3)O)C

DOS

IR

Vibrations