Geometry & MOs

Info

ID:	417504
PubChem CID:	135096213
Reduced:	ON2C11H13 (2)
Stoich.:	AB2C11D13 (2)
Weight, g/mol:	384.104539
ΔH_f, kcal/mol:	-33.79
Dipole, Da:	4.43
IP(EA), eV:	-8.96(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-4-oxo-N-[[2-(trifluoromethoxy)phenyl]methyl]-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2(C1)CC(C3=CC=CC=C3O2)NC4=NC(=CN=C4)C(=O)N5CCCC5

DOS

IR

Vibrations