Geometry & MOs

Info

ID:	152769
PubChem CID:	56311835
Reduced:	N4O5C23H28 (1)
Stoich.:	A4B5C23D28 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-166.46
Dipole, Da:	3.71
IP(EA), eV:	-8.44(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)NC(=O)NC2=CC=C(C=C2)OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations