Geometry & MOs

Info

ID:	35354
PubChem CID:	7979745
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	259.157229
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	3.87
IP(EA), eV:	-8.35(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-hydroxy-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)C)O

DOS

IR

Vibrations