Geometry & MOs

Info

ID:	227595
PubChem CID:	87562063
Reduced:	BBrO5C13H30 (1)
Stoich.:	ABC5D13E30 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-333.74
Dipole, Da:	4.88
IP(EA), eV:	-9.38(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-formyl-4-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide

Drug info:

PubChemData

Smile

B(CCCBr)(O)OC(C)(C)C(C)(C)O.COCCOC

DOS

IR

Vibrations