Geometry & MOs

Info

ID:	152659
PubChem CID:	56311686
Reduced:	O3N4C26H34 (1)
Stoich.:	A3B4C26D34 (1)
Weight, g/mol:	480.273656
ΔH_f, kcal/mol:	-85.75
Dipole, Da:	5.34
IP(EA), eV:	-8.17(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NCC2CCN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations