Geometry & MOs

Info

ID:	346031
PubChem CID:	127270395
Reduced:	ON3C13H25 (1)
Stoich.:	AB3C13D25 (1)
Weight, g/mol:	228.129634
ΔH_f, kcal/mol:	-74.21
Dipole, Da:	4.06
IP(EA), eV:	-8.47(1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylcyclopropyl)-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

CCN1CCCC(C1)NC(=O)N2CCC(C2)C

DOS

IR

Vibrations