Geometry & MOs

Info

ID:	269636
PubChem CID:	103618328
Reduced:	N2S2C11H16 (1)
Stoich.:	A2B2C11D16 (1)
Weight, g/mol:	241.136117
ΔH_f, kcal/mol:	36.78
Dipole, Da:	6.88
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-[(4-ethyl-1,2,4-triazol-3-yl)methyl]thiourea

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)CNC(=S)NC2CC2

DOS

IR

Vibrations