Geometry & MOs

Info

ID:	309324
PubChem CID:	126544966
Reduced:	ON3C9H9 (1)
Stoich.:	AB3C9D9 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	17.48
Dipole, Da:	0.15
IP(EA), eV:	-9.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1'-[[4-(4-hydroxybutyl)isoquinolin-3-yl]methyl]spiro[azetidine-3,3'-indole]-2'-one

Drug info:

PubChemData

Smile

C1C2(CN1)C3=C(C=NC=C3)NC2=O

DOS

IR

Vibrations