Geometry & MOs

Info

ID:	423901
PubChem CID:	135120683
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	306.230728
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	5.25
IP(EA), eV:	-8.61(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@]2(COCC[C@@H]2N(C1)CC3=C(N=CC=C3)N)C4=CCOCC4

DOS

IR

Vibrations