Geometry & MOs

Info

ID:	438465
PubChem CID:	135228206
Reduced:	N2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	409.0305
ΔH_f, kcal/mol:	58.94
Dipole, Da:	2.4
IP(EA), eV:	-8.89(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-bromo-[10-chloro-7-ethenyl-3-(ethoxymethyl)-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-ylidene]methanamine

Drug info:

PubChemData

Smile

C1CCC2=NN(C=C2C1)C3=CC(=NC=C3)N

DOS

IR

Vibrations