Geometry & MOs

Info

ID:	422760
PubChem CID:	135118363
Reduced:	O2N5C23H27 (1)
Stoich.:	A2B5C23D27 (1)
Weight, g/mol:	289.179027
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	2.64
IP(EA), eV:	-8.77(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)N2CCOCC2)N[C@@H]3COC[C@H]3CC4=CC=NC5=CC=CC=C45

DOS

IR

Vibrations