Geometry & MOs

Info

ID:	151971
PubChem CID:	56310805
Reduced:	O3N7C24H29 (1)
Stoich.:	A3B7C24D29 (1)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	-24.65
Dipole, Da:	6.49
IP(EA), eV:	-8.3(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC2=NC(=NC(=N2)NC3=CC=CC=C3OC)N)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations