Geometry & MOs

Info

ID:	61656
PubChem CID:	26711540
Reduced:	N2O2C22H31 (1)
Stoich.:	A2B2C22D31 (1)
Weight, g/mol:	357.217818
ΔH_f, kcal/mol:	-50.17
Dipole, Da:	7.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.007020
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[[4-[[[2-(2-methoxyphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)COC2=CC(=CC(=C2)C)C

DOS

IR

Vibrations