Geometry & MOs

Info

ID:	221565
PubChem CID:	85279828
Reduced:	ClOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	194.080376
ΔH_f, kcal/mol:	-28.9
Dipole, Da:	2.97
IP(EA), eV:	-9.63(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl N-[amino(pyrazol-1-yl)methylidene]carbamate

Drug info:

PubChemData

Smile

CC(=CCO)C1=CC=CC=C1Cl

DOS

IR

Vibrations