Geometry & MOs

Info

ID:	151769
PubChem CID:	56310568
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	483.20055
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	4.69
IP(EA), eV:	-8.7(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[2-[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)NC2=CC=CC(=C2)C#N)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations