Geometry & MOs

Info

ID:	207657
PubChem CID:	80433966
Reduced:	ON3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	306.080491
ΔH_f, kcal/mol:	-11.9
Dipole, Da:	4.46
IP(EA), eV:	-8.24(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(2-ethylsulfonylethyl)-3-(2-methylpropyl)pyrazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)C(=C(N2C)CC(C)C)N

DOS

IR

Vibrations