Geometry & MOs

Info

ID:	174254
PubChem CID:	75744676
Reduced:	O2N3C20H26 (1)
Stoich.:	A2B3C20D26 (1)
Weight, g/mol:	386.226609
ΔH_f, kcal/mol:	13.42
Dipole, Da:	5.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.883594
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(C2=CC=CC=C2)N3CC[NH+](CC3)CC4=CC=CO4

DOS

IR

Vibrations