Geometry & MOs

Info

ID:	130411
PubChem CID:	51075854
Reduced:	SN3O3C16H17 (1)
Stoich.:	AB3C3D16E17 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-39.77
Dipole, Da:	9.6
IP(EA), eV:	-9.18(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-methylpyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC1C2=CC=C(O2)/C=C/C(=O)NC3=NC(=CS3)CC(=O)N

DOS

IR

Vibrations