Geometry & MOs

Info

ID:	225129
PubChem CID:	85741899
Reduced:	NPC17H20 (1)
Stoich.:	ABC17D20 (1)
Weight, g/mol:	339.196507
ΔH_f, kcal/mol:	42.98
Dipole, Da:	0.18
IP(EA), eV:	-8.61(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-5-(2-methylhexan-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CC1PC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations