Geometry & MOs

Info

ID:	151973
PubChem CID:	56310807
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-127.79
Dipole, Da:	7.09
IP(EA), eV:	-8.37(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NCC2=CC=CC=C2OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations