Geometry & MOs

Info

ID:	123402
PubChem CID:	50845776
Reduced:	O3N5C24H31 (1)
Stoich.:	A3B5C24D31 (1)
Weight, g/mol:	415.192963
ΔH_f, kcal/mol:	-105.39
Dipole, Da:	5.55
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)ethyl]-5-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C1CCCN(C1)C(=O)NC2=CC=CC(=C2)NC(=O)NC3=CC=CC=C3

DOS

IR

Vibrations