Geometry & MOs

Info

ID:	257001
PubChem CID:	103143005
Reduced:	INO3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	-90.7
Dipole, Da:	3.42
IP(EA), eV:	-8.91(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-isoquinolin-8-yl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)CN2C(=O)COC3=C2C=CC(=C3)I

DOS

IR

Vibrations