Geometry & MOs

Info

ID:	291576
PubChem CID:	113445477
Reduced:	BrCl2N2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	332.0291
ΔH_f, kcal/mol:	29.68
Dipole, Da:	1.26
IP(EA), eV:	-8.69(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-chloro-4-methyl-N-(2-morpholin-4-ylethyl)aniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)NCC2=C(C=NC=C2)Cl)Br

DOS

IR

Vibrations