Geometry & MOs

Info

ID:	244643
PubChem CID:	99376185
Reduced:	N3O3C22H31 (1)
Stoich.:	A3B3C22D31 (1)
Weight, g/mol:	435.11575
ΔH_f, kcal/mol:	-141.52
Dipole, Da:	2.76
IP(EA), eV:	-9.37(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R)-1-[(3R)-1-(3-bromophenyl)-2-oxopyrrolidine-3-carbonyl]piperidin-3-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1CCCN(C1)C(=O)[C@@H]2CCCN2C(=O)CC3=CC=CC=C3

DOS

IR

Vibrations