Geometry & MOs

Info

ID:	416253
PubChem CID:	135089265
Reduced:	NSO5C17H25 (1)
Stoich.:	ABC5D17E25 (1)
Weight, g/mol:	354.194343
ΔH_f, kcal/mol:	-199.64
Dipole, Da:	4.71
IP(EA), eV:	-8.09(0.3)
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]-(1-hydroxynaphthalen-2-yl)methanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC

DOS

IR

Vibrations