Geometry & MOs

Info

ID:	3570
PubChem CID:	9804
Reduced:	NO5C18H30 (1)
Stoich.:	AB5C18D30 (1)
Weight, g/mol:	340.212398
ΔH_f, kcal/mol:	-161.88
Dipole, Da:	3.63
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751601
Charge, e:	1

Chem-info

IUPAC name:

triethyl-[2-(2,3,4-trimethoxybenzoyl)oxyethyl]azanium

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CCOC(=O)C1=C(C(=C(C=C1)OC)OC)OC

DOS

IR

Vibrations