Geometry & MOs

Info

ID:	255166
PubChem CID:	103130475
Reduced:	SN2O2C9H12 (1)
Stoich.:	AB2C2D9E12 (1)
Weight, g/mol:	164.094963
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	5.61
IP(EA), eV:	-8.66(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcyclopropyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2CSCCO2

DOS

IR

Vibrations