Geometry & MOs

Info

ID:	152982
PubChem CID:	56312087
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	413.21147
ΔH_f, kcal/mol:	-74.56
Dipole, Da:	5.89
IP(EA), eV:	-8.42(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C2=CC=CC=C2)C(=O)N(C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations