Geometry & MOs

Info

ID:	134405
PubChem CID:	51692674
Reduced:	ON2C18H25 (1)
Stoich.:	AB2C18D25 (1)
Weight, g/mol:	338.186852
ΔH_f, kcal/mol:	9.39
Dipole, Da:	0.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752862
Charge, e:	1

Chem-info

IUPAC name:

6-methoxy-2-[(3S)-1-[(4-methoxyphenyl)methyl]pyrrolidin-1-ium-3-yl]-1H-benzimidazole

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)[C@H]3CC[NH+](C3)C4CCCCC4

DOS

IR

Vibrations