Geometry & MOs

Info

ID:	424913
PubChem CID:	135124421
Reduced:	N4O5C36H36 (1)
Stoich.:	A4B5C36D36 (1)
Weight, g/mol:	258.03678
ΔH_f, kcal/mol:	-77.2
Dipole, Da:	9.3
IP(EA), eV:	-8.8(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-1-N-ethyl-6-methoxy-3-methylbenzene-1,2-diamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(CC(=O)N2[C@H](COC2=O)C3=CC=CC=C3)C4=C(C5=C(C=C4)N(N=N5)C)C)COCC6=CC=C(C=C6)OC

DOS

IR

Vibrations