Geometry & MOs

Info

ID:	152511
PubChem CID:	56311454
Reduced:	N3O3C25H33 (1)
Stoich.:	A3B3C25D33 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	-98.94
Dipole, Da:	5.5
IP(EA), eV:	-8.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(3-fluoro-4-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations