Geometry & MOs

Info

ID:	186842
PubChem CID:	77492270
Reduced:	F4N5H13C16 (1)
Stoich.:	A4B5C13D16 (1)
Weight, g/mol:	452.161518
ΔH_f, kcal/mol:	-94.66
Dipole, Da:	3.83
IP(EA), eV:	-9.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=NC2=NC=NN2C3=C1CCN3C(C4=CC(=CC=C4)F)C(F)(F)F

DOS

IR

Vibrations