Geometry & MOs

Info

ID:	357109
PubChem CID:	127293335
Reduced:	O2F3N4C15H25 (1)
Stoich.:	A2B3C4D15E25 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-262.1
Dipole, Da:	6.74
IP(EA), eV:	-8.43(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-methylcyclopropanecarbonyl)amino]-N-[1-(4-methylpiperazin-1-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(CN1CCN(CC1)C)NC(=O)C2CC(=O)N(C2)CC(F)(F)F

DOS

IR

Vibrations