Geometry & MOs

Info

ID:	421145
PubChem CID:	135115444
Reduced:	N2O4C19H24 (1)
Stoich.:	A2B4C19D24 (1)
Weight, g/mol:	371.257277
ΔH_f, kcal/mol:	-132.19
Dipole, Da:	6.37
IP(EA), eV:	-8.27(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]piperidin-1-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2CCC(CC2)N3C[C@]4(C[C@]4(C3)C(=O)O)C(=O)O

DOS

IR

Vibrations