Geometry & MOs

Info

ID:	420576
PubChem CID:	135114036
Reduced:	F2N3O3C17H19 (1)
Stoich.:	A2B3C3D17E19 (1)
Weight, g/mol:	362.114568
ΔH_f, kcal/mol:	-175.16
Dipole, Da:	4.8
IP(EA), eV:	-9.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chlorophenyl)propyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@H]2O)C(=O)C3=C(C=C(C=C3F)OC)F

DOS

IR

Vibrations