Geometry & MOs

Info

ID:	418395
PubChem CID:	135104512
Reduced:	FNO4C18H26 (1)
Stoich.:	ABC4D18E26 (1)
Weight, g/mol:	347.257277
ΔH_f, kcal/mol:	-220.33
Dipole, Da:	4.79
IP(EA), eV:	-8.76(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[[(4aS,8aS)-4a-(hydroxymethyl)-7-propyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-1-yl]methyl]-1-methylpyrrol-3-yl]ethanone

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CC3=CC(=C(C=C3)F)OC)O

DOS

IR

Vibrations