Geometry & MOs

Info

ID:	174864
PubChem CID:	75824432
Reduced:	N3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	389.195306
ΔH_f, kcal/mol:	43.89
Dipole, Da:	2.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752771
Charge, e:	1

Chem-info

IUPAC name:

N,N-dimethyl-4-[[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrrolidin-1-ium-1-yl]methyl]aniline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)C3CC[NH+](C3)C4CCCCC4

DOS

IR

Vibrations