Geometry & MOs

Info

ID:	151976
PubChem CID:	56310810
Reduced:	N5O5C24H33 (1)
Stoich.:	A5B5C24D33 (1)
Weight, g/mol:	399.19582
ΔH_f, kcal/mol:	-180.75
Dipole, Da:	5.21
IP(EA), eV:	-8.58(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)NC(=O)CN3CCN(CC3C)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations