Geometry & MOs

Info

ID:	449630
PubChem CID:	135300156
Reduced:	BrN2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	438.153262
ΔH_f, kcal/mol:	45.02
Dipole, Da:	3.77
IP(EA), eV:	-8.53(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[(Z)-2-chloro-1-(1-thiophen-3-ylethylamino)prop-1-enyl]-4-(methylideneamino)phenyl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CCC1=C(C=C(C=C1)C)NC2=C3C=C(C=CC3=NC(=C2)C)Br

DOS

IR

Vibrations