Geometry & MOs

Info

ID:	418710
PubChem CID:	135106631
Reduced:	O2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-52.15
Dipole, Da:	6.01
IP(EA), eV:	-8.38(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N1)CC(=O)N3C[C@H]4CN([C@@H](C3)COC4)C

DOS

IR

Vibrations