Geometry & MOs

Info

ID:	152608
PubChem CID:	56311579
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	403.170748
ΔH_f, kcal/mol:	-158.28
Dipole, Da:	3.72
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-(2,5-difluoroanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCCCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations