Geometry & MOs

Info

ID:	64456
PubChem CID:	29200707
Reduced:	N3O5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	498.12665
ΔH_f, kcal/mol:	-127.42
Dipole, Da:	10.24
IP(EA), eV:	-9.59(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[4-(3-bromobenzoyl)piperazin-1-yl]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1CCCCN1C(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

DOS

IR

Vibrations