Geometry & MOs

Info

ID:	166962
PubChem CID:	74758570
Reduced:	N3O4C27H30 (1)
Stoich.:	A3B4C27D30 (1)
Weight, g/mol:	383.158252
ΔH_f, kcal/mol:	-90.75
Dipole, Da:	21.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.079540
Charge, e:	1

Chem-info

IUPAC name:

(3-methoxyphenyl)methyl-methyl-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]azanium

Drug info:

PubChemData

Smile

C1CC[NH+](CC1)C(CNC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CO5

DOS

IR

Vibrations