Geometry & MOs

Info

ID:	417175
PubChem CID:	135091571
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	360.190989
ΔH_f, kcal/mol:	-98.02
Dipole, Da:	5.81
IP(EA), eV:	-8.59(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC(=O)O)C3=C1C4=CC=CC=C4N3

DOS

IR

Vibrations