Geometry & MOs

Info

ID:	350014
PubChem CID:	127276887
Reduced:	N3O3C22H25 (1)
Stoich.:	A3B3C22D25 (1)
Weight, g/mol:	375.20591
ΔH_f, kcal/mol:	-62.45
Dipole, Da:	7.8
IP(EA), eV:	-8.82(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-2-[5-methyl-1-(4-methylphenyl)triazol-4-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCN(CC2=CC=CC=C21)C(=O)[C@H]3COCC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations