Geometry & MOs

Info

ID:	1436
PubChem CID:	4428
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	5.12
IP(EA), eV:	-8.82(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O

DOS

IR

Vibrations