Geometry & MOs

Info

ID:	152393
PubChem CID:	56311310
Reduced:	N3O4C23H29 (1)
Stoich.:	A3B4C23D29 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-128.03
Dipole, Da:	9.0
IP(EA), eV:	-8.22(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[2-[4-(4-methoxycarbonylphenyl)-2-methylpiperazin-1-yl]acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCN1CCC(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations