Geometry & MOs

Info

ID:	152304
PubChem CID:	56311208
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	433.181313
ΔH_f, kcal/mol:	-61.05
Dipole, Da:	3.04
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[2-(difluoromethoxy)anilino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCCCC1=NOC(=N1)C(C)N2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations