Geometry & MOs

Info

ID:	175416
PubChem CID:	75901094
Reduced:	N3O3C25H36 (1)
Stoich.:	A3B3C25D36 (1)
Weight, g/mol:	425.267842
ΔH_f, kcal/mol:	-82.32
Dipole, Da:	3.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755951
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)C(C)[NH+](C)CCCOC2=CC=CC=C2C

DOS

IR

Vibrations