Geometry & MOs

Info

ID:	445999
PubChem CID:	135271249
Reduced:	NOC23H49 (1)
Stoich.:	ABC23D49 (1)
Weight, g/mol:	386.174276
ΔH_f, kcal/mol:	-157.9
Dipole, Da:	2.63
IP(EA), eV:	-8.71(2.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-methyl-1H-indazol-4-yl)-6-(1-prop-2-enoylazetidin-3-yl)-3,4-dihydroisoquinolin-1-one

Drug info:

PubChemData

Smile

CCCCCCCC(C)(CCCCCCC)NC(C)(C)CC(C)(C)O

DOS

IR

Vibrations