Geometry & MOs

Info

ID:	417373
PubChem CID:	135092910
Reduced:	FO3N4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	386.195405
ΔH_f, kcal/mol:	-92.16
Dipole, Da:	5.01
IP(EA), eV:	-8.86(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CCN1)NC(=O)C2=C(ON=C2N(C)C)C3=CC(=C(C=C3)F)OC

DOS

IR

Vibrations