Geometry & MOs

Info

ID:	151983
PubChem CID:	56310818
Reduced:	N3O4C22H33 (1)
Stoich.:	A3B4C22D33 (1)
Weight, g/mol:	425.195071
ΔH_f, kcal/mol:	-167.57
Dipole, Da:	7.37
IP(EA), eV:	-8.3(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[[2-[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CN(CCN1C(C)C(=O)N2CC(OC(C2)C)C)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations