Geometry & MOs

Info

ID:	30432
PubChem CID:	841329
Reduced:	ClSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	301.117489
ΔH_f, kcal/mol:	3.5
Dipole, Da:	5.33
IP(EA), eV:	-8.5(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dimethyl-N-[(4-methylphenyl)methylideneamino]-4-nitropyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=NNC(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations