Geometry & MOs

Info

ID:	206339
PubChem CID:	80233101
Reduced:	OSN3C15H15 (1)
Stoich.:	ABC3D15E15 (1)
Weight, g/mol:	322.101896
ΔH_f, kcal/mol:	71.96
Dipole, Da:	1.81
IP(EA), eV:	-8.95(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chloroethyl)-3-ethyl-1-methyl-6-[(3-methylthiophen-2-yl)methyl]imidazo[4,5-c]pyrazole

Drug info:

PubChemData

Smile

CC1=CSC=C1C2=NOC(=N2)C(CN)C3=CC=CC=C3

DOS

IR

Vibrations