Geometry & MOs

Info

ID:	229225
PubChem CID:	87567219
Reduced:	N3O3C26H41 (1)
Stoich.:	A3B3C26D41 (1)
Weight, g/mol:	443.314792
ΔH_f, kcal/mol:	-158.16
Dipole, Da:	7.52
IP(EA), eV:	-8.9(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@H]1C[C@@H](CC[C@@H]1N2CC[C@@H](C2=O)NC(=O)C3=CC(=C(C=C3)O)C(C)(C)C)N(C)C

DOS

IR

Vibrations