Geometry & MOs

Info

ID:	276449
PubChem CID:	103823331
Reduced:	N3O4C13H19 (1)
Stoich.:	A3B4C13D19 (1)
Weight, g/mol:	291.104148
ΔH_f, kcal/mol:	-84.91
Dipole, Da:	4.08
IP(EA), eV:	-8.34(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-5-methyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)(CNC1=C(C=C(C=C1)OC)[N+](=O)[O-])C(=O)NC

DOS

IR

Vibrations