Geometry & MOs

Info

ID:	54857
PubChem CID:	17389414
Reduced:	NOBr2C14H21 (1)
Stoich.:	ABC2D14E21 (1)
Weight, g/mol:	466.06922
ΔH_f, kcal/mol:	-37.65
Dipole, Da:	8.92
IP(EA), eV:	-8.87(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-bromophenyl)methoxy]-N-[(E)-[(Z)-4-(2-fluorophenyl)but-3-en-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC[N+](CC)(CC)CC(=O)C1=CC=C(C=C1)Br.[Br-]

DOS

IR

Vibrations