Geometry & MOs

Info

ID:	183548
PubChem CID:	77037469
Reduced:	O3N4H12C14 (1)
Stoich.:	A3B4C12D14 (1)
Weight, g/mol:	202.062139
ΔH_f, kcal/mol:	23.08
Dipole, Da:	2.89
IP(EA), eV:	-8.38(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxypropanimidamide

Drug info:

PubChemData

Smile

COC1=CC(=C2NOC(=N2)C3=C(C=NC=C3)N)C=CC1=O

DOS

IR

Vibrations