Geometry & MOs

Info

ID:	13929
PubChem CID:	400092
Reduced:	N2C6H7 (2)
Stoich.:	A2B6C7 (2)
Weight, g/mol:	214.121846
ΔH_f, kcal/mol:	65.64
Dipole, Da:	6.51
IP(EA), eV:	-8.65(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine

Drug info:

PubChemData

Smile

CC1CNC2=CC=CC=C2N3C1=NN=C3C

DOS

IR

Vibrations