Geometry & MOs

Info

ID:	159849
PubChem CID:	57288816
Reduced:	SO2N7C23H31 (1)
Stoich.:	AB2C7D23E31 (1)
Weight, g/mol:	268.182715
ΔH_f, kcal/mol:	-10.41
Dipole, Da:	2.26
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-di(butan-2-yl)naphthalene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC(CCNC(=O)C1=CC=C(C=C1)NC2=NC(=CS2)CN3CCNCC3)CC(=O)NCC#N

DOS

IR

Vibrations