Geometry & MOs

Info

ID:	416408
PubChem CID:	135089421
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	353.173942
ΔH_f, kcal/mol:	-155.34
Dipole, Da:	4.53
IP(EA), eV:	-9.39(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4R)-1-benzoyl-3-hydroxypiperidin-4-yl]-1-cyclopropylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)N2CC[C@@H]([C@@](C2)(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations