Geometry & MOs

Info

ID:	401470
PubChem CID:	135051360
Reduced:	NOH23C24 (1)
Stoich.:	ABC23D24 (1)
Weight, g/mol:	303.06226
ΔH_f, kcal/mol:	18.13
Dipole, Da:	4.51
IP(EA), eV:	-8.4(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-1-(2-phenylprop-2-enyl)pyridin-1-ium;bromide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C/C(=O)C2=CC=C(C=C2)C)/NC3=CC=C(C=C3)C

DOS

IR

Vibrations