Geometry & MOs

Info

ID:	243075
PubChem CID:	99215406
Reduced:	BrN2O5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	397.182398
ΔH_f, kcal/mol:	-101.58
Dipole, Da:	8.07
IP(EA), eV:	-9.59(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-1-benzylpiperidin-3-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=CC(=C1)Br)C(=O)NC[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

DOS

IR

Vibrations