Geometry & MOs

Info

ID:	421489
PubChem CID:	135116111
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	322.200491
ΔH_f, kcal/mol:	-19.74
Dipole, Da:	2.64
IP(EA), eV:	-9.27(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNC(=O)C1=CC=C(C=C1)CN2C[C@H]([C@@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations