Geometry & MOs

Info

ID:	416226
PubChem CID:	135089236
Reduced:	O2N4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	336.184921
ΔH_f, kcal/mol:	1.16
Dipole, Da:	3.0
IP(EA), eV:	-9.21(-1.22)
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-fluoro-6-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

C1C[C@@H]2CN(C[C@@H]2[C@](C1)(C3=CC=CC=C3)O)C(=O)C4=CN5C=CC=NC5=N4

DOS

IR

Vibrations