Geometry & MOs

Info

ID:	304590
PubChem CID:	124756413
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-10.64
Dipole, Da:	2.17
IP(EA), eV:	-8.8(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-2-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-1H-pyridin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2[C@@H]([C@@H]3[C@@H]4C[C@@H]([C@H]3C2=O)C=C4)O

DOS

IR

Vibrations