Geometry & MOs

Info

ID:	378219
PubChem CID:	134224295
Reduced:	ClFNO3H19C23 (1)
Stoich.:	ABCD3E19F23 (1)
Weight, g/mol:	149.095297
ΔH_f, kcal/mol:	-90.26
Dipole, Da:	2.79
IP(EA), eV:	-8.63(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]methanimine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)C(=O)C(=C)C2=CC=CC=C2NC3=C(CC(C=C3)C(=O)O)F

DOS

IR

Vibrations