Geometry & MOs

Info

ID:	135580
PubChem CID:	51896706
Reduced:	ClO2N4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	253.166451
ΔH_f, kcal/mol:	-40.74
Dipole, Da:	1.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.800043
Charge, e:	1

Chem-info

IUPAC name:

N'-tert-butyl-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)NC(=O)C(=O)NCC[N+]2=C(NC=C2)C

DOS

IR

Vibrations