Geometry & MOs

Info

ID:	50906
PubChem CID:	12013498
Reduced:	SN3C7H15 (1)
Stoich.:	AB3C7D15 (1)
Weight, g/mol:	160.088815
ΔH_f, kcal/mol:	-5.68
Dipole, Da:	1.55
IP(EA), eV:	-9.17(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R)-2-methylcyclopropyl]-phenylmethanone

Drug info:

PubChemData

Smile

CCC1NC(SC(=N1)N)CC

DOS

IR

Vibrations