Geometry & MOs

Info

ID:	172015
PubChem CID:	75455222
Reduced:	NOC6H9 (3)
Stoich.:	ABC6D9 (3)
Weight, g/mol:	322.011366
ΔH_f, kcal/mol:	17.46
Dipole, Da:	5.73
IP(EA), eV:	-8.66(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)-1,3,4-thiadiazol-2-amine

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1[N+](=O)[O-])N2CCC3CCC(C2)N3C(C)C

DOS

IR

Vibrations