Geometry & MOs

Info

ID:	165016
PubChem CID:	74485476
Reduced:	N6C16H25 (1)
Stoich.:	A6B16C25 (1)
Weight, g/mol:	481.227337
ΔH_f, kcal/mol:	93.71
Dipole, Da:	5.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.870953
Charge, e:	1

Chem-info

IUPAC name:

N-ethyl-6-[[2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]amino]-N-phenylpyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CCCNC2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations