Geometry & MOs

Info

ID:	1663
PubChem CID:	4841
Reduced:	NO3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	368.222569
ΔH_f, kcal/mol:	-64.05
Dipole, Da:	3.62
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752429
Charge, e:	1

Chem-info

IUPAC name:

2-(1-ethylpiperidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate

Drug info:

PubChemData

Smile

CC[N+]1(CCCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

DOS

IR

Vibrations