Geometry & MOs

Info

ID:	152407
PubChem CID:	56311327
Reduced:	ClO3N6C23H25 (1)
Stoich.:	AB3C6D23E25 (1)
Weight, g/mol:	372.184921
ΔH_f, kcal/mol:	-30.09
Dipole, Da:	2.99
IP(EA), eV:	-8.58(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC2=C(C=CC(=C2)Cl)N3C=NC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations