Geometry & MOs

Info

ID:	136067
PubChem CID:	51974290
Reduced:	FN2O5H17C21 (1)
Stoich.:	AB2C5D17E21 (1)
Weight, g/mol:	383.223572
ΔH_f, kcal/mol:	-183.53
Dipole, Da:	6.66
IP(EA), eV:	-8.83(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(6S)-2,3-dimethyl-6-phenyl-1-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrrolo[2,3-b]quinolin-9-ium-4-amine

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)[C@H]2CC(=O)NC3=C2N(C=C3C(=O)O)C4=CC=C(C=C4)F)O

DOS

IR

Vibrations