Geometry & MOs

Info

ID:	151964
PubChem CID:	56310798
Reduced:	O3N4C25H28 (1)
Stoich.:	A3B4C25D28 (1)
Weight, g/mol:	414.215472
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	7.88
IP(EA), eV:	-8.6(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=CC3=C2C=CC=N3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations