Geometry & MOs

Info

ID:	134627
PubChem CID:	51729384
Reduced:	ON2S2C17H23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	376.215078
ΔH_f, kcal/mol:	-0.55
Dipole, Da:	4.99
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039533
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)C(=O)NC[C@@H](C)[NH+]2CCC3=C(C2)C=CS3

DOS

IR

Vibrations