Geometry & MOs

Info

ID:	132419
PubChem CID:	51360849
Reduced:	ON7C25H31 (1)
Stoich.:	AB7C25D31 (1)
Weight, g/mol:	403.200825
ΔH_f, kcal/mol:	78.83
Dipole, Da:	3.42
IP(EA), eV:	-8.58(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-morpholin-4-yl-4,6-dihydrotriazolo[1,5-a][1,4]benzodiazepin-5-yl)-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CCCCN1C(=NN=N1)C(C2=CC=CC=C2)N3CCC4(CC3)C(=O)NCN4C5=CC=CC=C5

DOS

IR

Vibrations