Geometry & MOs

Info

ID:	36362
PubChem CID:	8002366
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	404.130697
ΔH_f, kcal/mol:	-54.68
Dipole, Da:	2.63
IP(EA), eV:	-8.03(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C3=O

DOS

IR

Vibrations