Geometry & MOs

Info

ID:	161262
PubChem CID:	57391184
Reduced:	ClO2N6H19C20 (1)
Stoich.:	AB2C6D19E20 (1)
Weight, g/mol:	463.11469
ΔH_f, kcal/mol:	53.79
Dipole, Da:	1.96
IP(EA), eV:	-8.52(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(4-bromophenyl)methylideneamino]phenyl] 2-[4-(2-methylpropyl)phenyl]propanoate

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCC3=NN=C(O3)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations