Geometry & MOs

Info

ID:	127555
PubChem CID:	51005942
Reduced:	O4C17H24 (1)
Stoich.:	A4B17C24 (1)
Weight, g/mol:	408.204907
ΔH_f, kcal/mol:	-147.83
Dipole, Da:	1.96
IP(EA), eV:	-9.43(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H]1[C@H]2CC([C@@]([C@H]1OCC3=CC=CC=C3)(O2)C)(OC)OC

DOS

IR

Vibrations