Geometry & MOs

Info

ID:	257016
PubChem CID:	103143059
Reduced:	NOC12H21 (1)
Stoich.:	ABC12D21 (1)
Weight, g/mol:	254.141913
ΔH_f, kcal/mol:	-65.57
Dipole, Da:	2.01
IP(EA), eV:	-9.3(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-8-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

Drug info:

PubChemData

Smile

CC1CCC(O1)C=C2CCC(CC2)N

DOS

IR

Vibrations