Geometry & MOs

Info

ID:	121737
PubChem CID:	50779573
Reduced:	ClO2N3C21H30 (1)
Stoich.:	AB2C3D21E30 (1)
Weight, g/mol:	435.15214
ΔH_f, kcal/mol:	-92.28
Dipole, Da:	2.23
IP(EA), eV:	-9.29(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)N(CCC(=O)N2CCNCC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations