Geometry & MOs

Info

ID:	51981
PubChem CID:	12014752
Reduced:	O3C14H22 (1)
Stoich.:	A3B14C22 (1)
Weight, g/mol:	365.177964
ΔH_f, kcal/mol:	-129.8
Dipole, Da:	2.8
IP(EA), eV:	-8.1(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-4-(naphthalen-1-yloxymethyl)-1H-benzo[f]isoquinoline

Drug info:

PubChemData

Smile

CCC(CC)(CC1=CC(=C(C=C1)OC)OC)O

DOS

IR

Vibrations