Geometry & MOs

Info

ID:	340606
PubChem CID:	127262617
Reduced:	ClNO2C11H14 (1)
Stoich.:	ABC2D11E14 (1)
Weight, g/mol:	375.141967
ΔH_f, kcal/mol:	-112.19
Dipole, Da:	2.09
IP(EA), eV:	-8.53(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1CC2=C(C1)C=C(C=C2)N.Cl

DOS

IR

Vibrations