Geometry & MOs

Info

ID:	133902
PubChem CID:	51611162
Reduced:	NOH2C4 (3)
Stoich.:	ABC2D4 (3)
Weight, g/mol:	299.212338
ΔH_f, kcal/mol:	37.18
Dipole, Da:	16.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.257099
Charge, e:	1

Chem-info

IUPAC name:

[(2R)-1-ethylpyrrolidin-2-yl]methyl-[(6-methoxynaphthalen-2-yl)methyl]azanium

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)N3C(=N2)C=CC(=N3)C(=O)[O-]

DOS

IR

Vibrations