Geometry & MOs

Info

ID:	128043
PubChem CID:	51028513
Reduced:	N3O4H17C19 (1)
Stoich.:	A3B4C17D19 (1)
Weight, g/mol:	378.194343
ΔH_f, kcal/mol:	-48.06
Dipole, Da:	1.91
IP(EA), eV:	-9.12(-0.79)
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]-N-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@H]2C1=O)[C@H]4[C@@H]3C(=NO4)C5=CC=C(C=C5)OCC#N

DOS

IR

Vibrations