Geometry & MOs

Info

ID:	220620
PubChem CID:	85198068
Reduced:	NO5C18H31 (1)
Stoich.:	AB5C18D31 (1)
Weight, g/mol:	341.177964
ΔH_f, kcal/mol:	-254.6
Dipole, Da:	6.02
IP(EA), eV:	-9.72(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-(6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl)phenol

Drug info:

PubChemData

Smile

CCOC(=O)C1C(C(CN1C(=O)OC(C)(C)C)(C)C(=C)C)CCO

DOS

IR

Vibrations