Geometry & MOs

Info

ID:	171535
PubChem CID:	75390356
Reduced:	ON3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	346.119654
ΔH_f, kcal/mol:	33.48
Dipole, Da:	3.52
IP(EA), eV:	-8.63(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(7-chloro-1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-(1-ethylpyrazol-4-yl)ethane-1,2-dione

Drug info:

PubChemData

Smile

CC(C#N)NC(=O)CN(CC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations