Geometry & MOs

Info

ID:	138545
PubChem CID:	52383529
Reduced:	N2O3H22C25 (1)
Stoich.:	A2B3C22D25 (1)
Weight, g/mol:	321.138522
ΔH_f, kcal/mol:	-61.88
Dipole, Da:	3.93
IP(EA), eV:	-9.14(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-methyl-1-[methyl-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2NC(=O)[C@H]3CC(=O)C4=CC=CC=C34

DOS

IR

Vibrations