Geometry & MOs

Info

ID:	319035
PubChem CID:	126654279
Reduced:	ClO2N3C24H26 (1)
Stoich.:	AB2C3D24E26 (1)
Weight, g/mol:	436.166604
ΔH_f, kcal/mol:	0.44
Dipole, Da:	6.01
IP(EA), eV:	-8.7(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2C(=CN1C)C3=C([C@@H](N=C2C4=CC=C(C=C4)Cl)CC(=O)C(C)(C)C)ON=C3C

DOS

IR

Vibrations