Geometry & MOs

Info

ID:	46052
PubChem CID:	10520814
Reduced:	NOC23H29 (1)
Stoich.:	ABC23D29 (1)
Weight, g/mol:	236.165054
ΔH_f, kcal/mol:	-22.99
Dipole, Da:	3.37
IP(EA), eV:	-8.43(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-methyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C2=CC=CC=C12)[C@H]3C[C@@H]4CC[C@H]([C@H]3C(=O)CC)N4C

DOS

IR

Vibrations