Geometry & MOs

Info

ID:	178428
PubChem CID:	76328893
Reduced:	N4O5C29H30 (1)
Stoich.:	A4B5C29D30 (1)
Weight, g/mol:	264.104482
ΔH_f, kcal/mol:	-83.6
Dipole, Da:	8.69
IP(EA), eV:	-8.41(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6E)-6-[5-[2-(dimethylamino)ethylsulfanyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2CCN(CC2)CC3=CN(C4=CC=CC=C43)C5=CC=CC=N5.C(=C/C(=O)O)\C(=O)O

DOS

IR

Vibrations