Geometry & MOs

Info

ID:	75650
PubChem CID:	48423798
Reduced:	N2O5C21H26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	367.08954
ΔH_f, kcal/mol:	-179.85
Dipole, Da:	4.29
IP(EA), eV:	-8.95(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C1=C(C=C(C=C1)OC)OC)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC

DOS

IR

Vibrations