Geometry & MOs

Info

ID:	373483
PubChem CID:	131315979
Reduced:	SO2C12H12 (1)
Stoich.:	AB2C12D12 (1)
Weight, g/mol:	190.121846
ΔH_f, kcal/mol:	-44.75
Dipole, Da:	3.37
IP(EA), eV:	-8.79(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[(3-methylcyclobutyl)methyl]pyrazole-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CSC2=C1C(=C(C=C2)C=O)CO

DOS

IR

Vibrations