Geometry & MOs

Info

ID:	152867
PubChem CID:	56311947
Reduced:	N4O4C27H36 (1)
Stoich.:	A4B4C27D36 (1)
Weight, g/mol:	433.156848
ΔH_f, kcal/mol:	-143.53
Dipole, Da:	6.01
IP(EA), eV:	-8.51(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)N2CCN(CC2C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations