Geometry & MOs

Info

ID:	165087
PubChem CID:	74499031
Reduced:	O2N4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	471.252192
ΔH_f, kcal/mol:	-36.89
Dipole, Da:	6.53
IP(EA), eV:	-8.69(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

Drug info:

PubChemData

Smile

CCN1CCN(CCC1=O)C(=O)C2CC(NN2)C3=CC=CC=C3

DOS

IR

Vibrations