Geometry & MOs

Info

ID:	130512
PubChem CID:	51090996
Reduced:	N2O3C20H28 (1)
Stoich.:	A2B3C20D28 (1)
Weight, g/mol:	342.115047
ΔH_f, kcal/mol:	-110.13
Dipole, Da:	0.58
IP(EA), eV:	-9.36(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-N,N-dimethylbenzamide

Drug info:

PubChemData

Smile

CCOCC1=CC=CC(=C1)CNC(=O)C2CCCN(C2)C(=O)C3CC3

DOS

IR

Vibrations