Geometry & MOs

Info

ID:	1288
PubChem CID:	4097
Reduced:	NO3C21H26 (1)
Stoich.:	AB3C21D26 (1)
Weight, g/mol:	340.191269
ΔH_f, kcal/mol:	-56.73
Dipole, Da:	2.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752971
Charge, e:	1

Chem-info

IUPAC name:

diethyl-methyl-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium

Drug info:

PubChemData

Smile

CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC3=CC=CC=C13

DOS

IR

Vibrations