Geometry & MOs

Info

ID:	417534
PubChem CID:	135099575
Reduced:	ON3C19H25 (1)
Stoich.:	AB3C19D25 (1)
Weight, g/mol:	330.194343
ΔH_f, kcal/mol:	-7.32
Dipole, Da:	4.65
IP(EA), eV:	-8.8(-0.81)
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]-(2,3-dihydro-1-benzofuran-5-yl)methanone

Drug info:

PubChemData

Smile

C1CNCCC1N2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations