Geometry & MOs

Info

ID:	416797
PubChem CID:	135090435
Reduced:	O2N3C21H29 (1)
Stoich.:	A2B3C21D29 (1)
Weight, g/mol:	290.210661
ΔH_f, kcal/mol:	-36.04
Dipole, Da:	3.33
IP(EA), eV:	-8.49(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=C(NN=C3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations