Geometry & MOs

Info

ID:	396149
PubChem CID:	135027541
Reduced:	NSO3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	326.094294
ΔH_f, kcal/mol:	-86.73
Dipole, Da:	2.15
IP(EA), eV:	-9.3(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-naphthalen-1-ylbenzo[f][1,3]benzodioxole-6-carbaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=CC=C1N2C(=O)[C@@H]3CC(=O)C[C@@H]([C@@H]3C2=O)C4=CC=CS4

DOS

IR

Vibrations