Geometry & MOs

Info

ID:	69866
PubChem CID:	47205618
Reduced:	N2O5C9H12 (1)
Stoich.:	A2B5C9D12 (1)
Weight, g/mol:	247.05124
ΔH_f, kcal/mol:	-135.13
Dipole, Da:	7.11
IP(EA), eV:	-9.96(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-N-(1H-pyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C(=O)OCCOC

DOS

IR

Vibrations