Geometry & MOs

Info

ID:	416418
PubChem CID:	135089431
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	311.199762
ΔH_f, kcal/mol:	-7.29
Dipole, Da:	2.5
IP(EA), eV:	-9.47(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1N[C@H]2COC[C@H]2CC3=CC=NC4=CC=CC=C34)C(=O)C5=CN=CC=C5

DOS

IR

Vibrations