Geometry & MOs

Info

ID:	62041
PubChem CID:	26717184
Reduced:	SN3O4H17C23 (1)
Stoich.:	AB3C4D17E23 (1)
Weight, g/mol:	310.087291
ΔH_f, kcal/mol:	-19.27
Dipole, Da:	5.81
IP(EA), eV:	-8.79(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[(1S)-1-naphthalen-2-ylethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)NN3C=NC4=C(C3=O)C(=CS4)C5=CC=CC=C5

DOS

IR

Vibrations