Geometry & MOs

Info

ID:	11563
PubChem CID:	117723
Reduced:	N2O4C22H29 (1)
Stoich.:	A2B4C22D29 (1)
Weight, g/mol:	385.212732
ΔH_f, kcal/mol:	-93.62
Dipole, Da:	20.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.063358
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[4-[(2-methoxybenzoyl)amino]benzoyl]oxyethyl]-methylazanium

Drug info:

PubChemData

Smile

CC[N+](C)(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OC

DOS

IR

Vibrations