Geometry & MOs

Info

ID:	127746
PubChem CID:	51013609
Reduced:	NOC8H10 (2)
Stoich.:	ABC8D10 (2)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-75.11
Dipole, Da:	5.43
IP(EA), eV:	-9.17(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@H]2CC(=O)NC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations