Geometry & MOs

Info

ID:	387021
PubChem CID:	134983695
Reduced:	N2O5H24C27 (1)
Stoich.:	A2B5C24D27 (1)
Weight, g/mol:	198.140851
ΔH_f, kcal/mol:	-23.58
Dipole, Da:	6.85
IP(EA), eV:	-8.81(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-diethyl-5-methylnaphthalene

Drug info:

PubChemData

Smile

CC1(C2=CC3=C(C=C2C(=C1C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5)OCO3)N6CCOCC6

DOS

IR

Vibrations