Geometry & MOs

Info

ID:	419280
PubChem CID:	135107883
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	318.132805
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	2.84
IP(EA), eV:	-8.77(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-N-[2-(5-methylfuran-2-yl)ethyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C3=NC=CN=C3)OC[C@@H]1O)O

DOS

IR

Vibrations