Geometry & MOs

Info

ID:	152492
PubChem CID:	56311430
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	342.174356
ΔH_f, kcal/mol:	-54.29
Dipole, Da:	5.59
IP(EA), eV:	-8.78(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=CC=NN2C(C)C3CC3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations