Geometry & MOs

Info

ID:	279505
PubChem CID:	103844161
Reduced:	N3O4C12H13 (1)
Stoich.:	A3B4C12D13 (1)
Weight, g/mol:	209.098669
ΔH_f, kcal/mol:	-23.48
Dipole, Da:	8.62
IP(EA), eV:	-9.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopenten-1-yl)ethyl]-5-methyl-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CN1C=NC(=C1OC2=CC=C(C=C2)CCO)[N+](=O)[O-]

DOS

IR

Vibrations