Geometry & MOs

Info

ID:	280098
PubChem CID:	103846838
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	344.0291
ΔH_f, kcal/mol:	-69.75
Dipole, Da:	3.79
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-chlorophenyl)-(4-ethyl-3-methylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CCN1CCN(CC1C)C(=O)C2=CC3=C(C=C2)NC(=O)C3

DOS

IR

Vibrations