Geometry & MOs

Info

ID:	124461
PubChem CID:	50884688
Reduced:	ClN4O5H33C36 (1)
Stoich.:	AB4C5D33E36 (1)
Weight, g/mol:	418.08921
ΔH_f, kcal/mol:	-67.34
Dipole, Da:	3.93
IP(EA), eV:	-8.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[3-bromo-5-methoxy-4-(2-methylpropoxy)phenyl]methylideneamino]phenyl]acetamide

Drug info:

PubChemData

Smile

CCCCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)C5=C(NN(C5=O)C6=CC=CC=C6)C)Cl

DOS

IR

Vibrations