Geometry & MOs

Info

ID:	163756
PubChem CID:	74374169
Reduced:	N2O7H22C25 (1)
Stoich.:	A2B7C22D25 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-98.67
Dipole, Da:	1.66
IP(EA), eV:	-8.35(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-3-[2-(2-pyrazolo[1,5-a]pyridin-3-ylethyl)-3,4-dihydro-1H-isoquinolin-6-yl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC2C(CC1OCC3=NOC(=N3)C4=CC(=CC=C4)C(=O)O)OC=C(C2=O)C5=CC=C(C=C5)O

DOS

IR

Vibrations