Geometry & MOs

Info

ID:	417652
PubChem CID:	135102392
Reduced:	N2O3C19H22 (1)
Stoich.:	A2B3C19D22 (1)
Weight, g/mol:	371.19574
ΔH_f, kcal/mol:	-93.3
Dipole, Da:	3.38
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCC2=CC(=CC=C2)O)O)CC3=CC=NC=C3

DOS

IR

Vibrations