Geometry & MOs

Info

ID:	29115
PubChem CID:	831681
Reduced:	NSO3C17H23 (1)
Stoich.:	ABC3D17E23 (1)
Weight, g/mol:	322.083268
ΔH_f, kcal/mol:	-121.76
Dipole, Da:	1.94
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3,4-dimethoxyphenyl)methylideneamino]-2-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)C3CCC3

DOS

IR

Vibrations