Geometry & MOs

Info

ID:

174229

PubChem CID:

75743681

Reduced:

N2C15H25 (1)

Stoich.:

A2B15C25 (1)

Weight, g/mol:

254.154976

ΔHf, kcal/mol:

20.18

Dipole, Da:

5.73

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 1.042133

Charge, e:

2

Chem-info

IUPAC name:

(4-chlorophenyl)methyl-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

CCN1CCCC1C[NH2+]CC2=CC=C(C=C2)C

DOS

IR

Vibrations