Geometry & MOs

Info

ID:	392187
PubChem CID:	135013567
Reduced:	SnO2C21H42 (1)
Stoich.:	AB2C21D42 (1)
Weight, g/mol:	479.327368
ΔH_f, kcal/mol:	-101.32
Dipole, Da:	2.76
IP(EA), eV:	-9.38(0.98)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) 4-(dimethylamino)-2-[(1S)-2,2-dimethyl-1-phenylmethoxypropyl]pyridin-1-ium-1-carboxylate

Drug info:

PubChemData

Smile

CCCC[Sn](CCCC)(CCCC)C(=C)C[C@@H](C)CC1[C@@H](O1)CO

DOS

IR

Vibrations