Geometry & MOs

Info

ID:	175599
PubChem CID:	75926059
Reduced:	ON2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	428.13375
ΔH_f, kcal/mol:	-35.37
Dipole, Da:	2.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.137893
Charge, e:	1

Chem-info

IUPAC name:

2-(4-bromophenyl)-N-[3-[(4-methylpiperazin-4-ium-1-yl)methyl]phenyl]cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C[NH+]2CCCCC2CC(=O)N

DOS

IR

Vibrations