Geometry & MOs

Info

ID:	48077
PubChem CID:	10537016
Reduced:	OC7H11 (2)
Stoich.:	AB7C11 (2)
Weight, g/mol:	222.11907
ΔH_f, kcal/mol:	-80.67
Dipole, Da:	2.29
IP(EA), eV:	-8.9(1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N'-(2-propan-2-ylphenyl)carbamimidothioate

Drug info:

PubChemData

Smile

C=CCOC1(CCCCC1)C2=CCCCO2

DOS

IR

Vibrations