Geometry & MOs

Info

ID:	229224
PubChem CID:	87567217
Reduced:	NO2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	443.314792
ΔH_f, kcal/mol:	-151.37
Dipole, Da:	1.24
IP(EA), eV:	-9.9(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butyl-N-[(3S)-1-[(1S,2R,4R)-4-(dimethylamino)-2-propylcyclohexyl]-2-oxopyrrolidin-3-yl]-4-hydroxybenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C/C(=N/OC)/CC1=O

DOS

IR

Vibrations