Geometry & MOs

Info

ID:	165608
PubChem CID:	74575234
Reduced:	N3O3C20H26 (1)
Stoich.:	A3B3C20D26 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-67.38
Dipole, Da:	5.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.972436
Charge, e:	0

Chem-info

IUPAC name:

5-azaniumyl-5-(2,3-dihydro-1H-inden-5-yl)pentanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=CC=[NH+]3)O

DOS

IR

Vibrations