Geometry & MOs

Info

ID:	147050
PubChem CID:	53786537
Reduced:	O2C17H34 (1)
Stoich.:	A2B17C34 (1)
Weight, g/mol:	386.175619
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	1.33
IP(EA), eV:	-9.03(0.64)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-(4,4-dimethyl-2,3-dihydrochromen-2-yl)naphthalene-2-carbonyl]-ethyl-(oxomethylidene)azanium

Drug info:

PubChemData

Smile

CC1(CCCC(C1(C)OO)(C(C)(C)C)C(C)(C)C)C

DOS

IR

Vibrations