Geometry & MOs

Info

ID:	380985
PubChem CID:	134971602
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	333.043567
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	5.83
IP(EA), eV:	-8.88(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-1,2-dimethylindazol-2-ium-3-carboximidate

Drug info:

PubChemData

Smile

CC(C)/C=C/C(=O)O[C@H](C/C=C(\C)/C=C)C1(C(=CC(=O)O1)N2CCCC2)C

DOS

IR

Vibrations