Geometry & MOs

Info

ID:	134046
PubChem CID:	51631279
Reduced:	O3N5C23H31 (1)
Stoich.:	A3B5C23D31 (1)
Weight, g/mol:	475.02934
ΔH_f, kcal/mol:	-65.13
Dipole, Da:	5.75
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[[4-[(E)-3-(3-bromoanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoate

Drug info:

PubChemData

Smile

CCN1CCN(CC1)[C@@H](CNC(=O)C(=O)NCC2=CC=CC=C2OC)C3=CN=CC=C3

DOS

IR

Vibrations