Geometry & MOs

Info

ID:	132758
PubChem CID:	51414155
Reduced:	Cl2N2O3C17H18 (1)
Stoich.:	A2B2C3D17E18 (1)
Weight, g/mol:	368.149793
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	6.01
IP(EA), eV:	-8.46(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-indol-3-ylidenemethyl]-3-[2-[(Z)-indol-3-ylidenemethyl]hydrazinyl]-1,2,4-triazol-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCNC(=O)NC2=C(C=C(C=C2)Cl)Cl)OC

DOS

IR

Vibrations