Geometry & MOs

Info

ID:	420745
PubChem CID:	135114753
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-101.3
Dipole, Da:	7.36
IP(EA), eV:	-9.62(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1C(=O)CCO)O)CC2=NC3=CC=CC=C3C=C2

DOS

IR

Vibrations