Geometry & MOs

Info

ID:	392527
PubChem CID:	135017046
Reduced:	NSO3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	303.125929
ΔH_f, kcal/mol:	-79.35
Dipole, Da:	9.0
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-3-(4-methylphenyl)-2-nitroprop-2-enyl]naphthalene

Drug info:

PubChemData

Smile

CC(C(=O)N1[C@H](COC1=O)CC2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations