Geometry & MOs

Info

ID:	309949
PubChem CID:	126569502
Reduced:	OC18H29 (2)
Stoich.:	AB18C29 (2)
Weight, g/mol:	232.026626
ΔH_f, kcal/mol:	-134.48
Dipole, Da:	1.73
IP(EA), eV:	-8.55(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfonyl-1,2,4-triazin-6-yl)methylcarbamic acid

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1C(C)(CC)CC)CC)COCCOCC2=C(C=C(C(=C2)CC)C(C)(CC)CC)CC

DOS

IR

Vibrations