Geometry & MOs

Info

ID:	422623
PubChem CID:	135118156
Reduced:	FON5C18H22 (1)
Stoich.:	ABC5D18E22 (1)
Weight, g/mol:	316.251464
ΔH_f, kcal/mol:	-21.93
Dipole, Da:	3.33
IP(EA), eV:	-8.55(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=NC=C2F)N3C[C@H]([C@@H](C3)O)CC4=CC=NC=C4

DOS

IR

Vibrations