Geometry & MOs

Info

ID:	214220
PubChem CID:	84974685
Reduced:	N2O3C25H26 (1)
Stoich.:	A2B3C25D26 (1)
Weight, g/mol:	355.10212
ΔH_f, kcal/mol:	-40.45
Dipole, Da:	6.19
IP(EA), eV:	-8.24(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methyl-(oxan-2-ylmethyl)azanium

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)N3CCN(CC3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations