Geometry & MOs

Info

ID:	39316
PubChem CID:	8140242
Reduced:	N4O4C21H27 (1)
Stoich.:	A4B4C21D27 (1)
Weight, g/mol:	355.238553
ΔH_f, kcal/mol:	-20.36
Dipole, Da:	6.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.994082
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[[2-[[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]methyl]phenyl]methyl]azanium

Drug info:

PubChemData

Smile

C[NH+](C)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

DOS

IR

Vibrations