Geometry & MOs

Info

ID:	1718
PubChem CID:	4934
Reduced:	NO3C23H30 (1)
Stoich.:	AB3C23D30 (1)
Weight, g/mol:	368.222569
ΔH_f, kcal/mol:	-80.06
Dipole, Da:	1.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754399
Charge, e:	1

Chem-info

IUPAC name:

methyl-di(propan-2-yl)-[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations