Geometry & MOs

Info

ID:	152388
PubChem CID:	56311303
Reduced:	N3O5C23H33 (1)
Stoich.:	A3B5C23D33 (1)
Weight, g/mol:	431.202048
ΔH_f, kcal/mol:	-214.13
Dipole, Da:	4.58
IP(EA), eV:	-8.53(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2CCC3(CC2)OCCO3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations