Geometry & MOs

Info

ID:	338817
PubChem CID:	127259828
Reduced:	NO4C18H19 (1)
Stoich.:	AB4C18D19 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	4.78
IP(EA), eV:	-9.54(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitronaphthalen-2-yl)methyl 4-phenylbutanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CCCC2=CC=CC=C2

DOS

IR

Vibrations