Geometry & MOs

Info

ID:	152660
PubChem CID:	56311687
Reduced:	N4O4C27H36 (1)
Stoich.:	A4B4C27D36 (1)
Weight, g/mol:	453.226371
ΔH_f, kcal/mol:	-119.58
Dipole, Da:	7.59
IP(EA), eV:	-8.51(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCN1CC(=O)N2CCN(CC2)CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations