Geometry & MOs

Info

ID:	209532
PubChem CID:	80683842
Reduced:	ClN9C11H12 (1)
Stoich.:	AB9C11D12 (1)
Weight, g/mol:	293.185175
ΔH_f, kcal/mol:	151.88
Dipole, Da:	5.54
IP(EA), eV:	-9.9(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-N'-hydroxycarbamimidoyl]-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=N1)CCNC2=NC(=NC(=N2)Cl)N3C=CC=N3

DOS

IR

Vibrations