Geometry & MOs

Info

ID:	206069
PubChem CID:	80198932
Reduced:	OCl2N2C14H14 (1)
Stoich.:	AB2C2D14E14 (1)
Weight, g/mol:	308.048318
ΔH_f, kcal/mol:	-5.4
Dipole, Da:	5.22
IP(EA), eV:	-9.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylethyl)-3-(3,5-dichlorophenyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)N1C=C(C(=N1)C2=CC(=CC(=C2)Cl)Cl)C=O

DOS

IR

Vibrations