Geometry & MOs

Info

ID:	55820
PubChem CID:	17396614
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	371.166748
ΔH_f, kcal/mol:	-118.44
Dipole, Da:	2.79
IP(EA), eV:	-8.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)CSCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations