Geometry & MOs

Info

ID:	272899
PubChem CID:	103764348
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	358.04475
ΔH_f, kcal/mol:	-78.08
Dipole, Da:	5.9
IP(EA), eV:	-8.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromo-4-chlorophenyl)-(4-tert-butylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)N1CCN(CC1)C(=O)C2=CC(=O)NC=C2

DOS

IR

Vibrations