Geometry & MOs

Info

ID:	135868
PubChem CID:	51951618
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	324.207587
ΔH_f, kcal/mol:	-160.47
Dipole, Da:	9.86
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2S)-N-cyclopropyl-2-[4-(4-methyl-1H-indol-3-yl)-1,2,3,6-tetrahydropyridin-1-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@]1(C(=O)NC(=O)N1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)N4C(=O)CCC4=O

DOS

IR

Vibrations