Geometry & MOs

Info

ID:	425174
PubChem CID:	135125420
Reduced:	ClNO2C4H8 (1)
Stoich.:	ABC2D4E8 (1)
Weight, g/mol:	366.144038
ΔH_f, kcal/mol:	-58.03
Dipole, Da:	1.93
IP(EA), eV:	-10.02(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-cyano-3-methoxyanilino)-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

COCC/C(=N/O)/Cl

DOS

IR

Vibrations