Geometry & MOs

Info

ID:	323690
PubChem CID:	126675749
Reduced:	ON4C18H28 (1)
Stoich.:	AB4C18D28 (1)
Weight, g/mol:	374.160357
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	1.32
IP(EA), eV:	-8.38(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[4-[(5-amino-2H-triazolo[4,5-b]pyridin-7-yl)methyl]pyrazol-1-yl]methyl]-3,4-dihydro-2H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCCCCC(CCC)N=C/C(=C\N)/C1=CC(=C(N=C1)N)C=O

DOS

IR

Vibrations