Geometry & MOs

Info

ID:	268801
PubChem CID:	103601025
Reduced:	SN2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	258.21297
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	6.11
IP(EA), eV:	-8.12(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-bis(3-methylbutyl)-3-propan-2-ylthiourea

Drug info:

PubChemData

Smile

CCNC(=S)N(CCC(C)C)CCC(C)C

DOS

IR

Vibrations