Geometry & MOs

Info

ID:	59542
PubChem CID:	24875275
Reduced:	BrN3H14C21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	395.109233
ΔH_f, kcal/mol:	139.49
Dipole, Da:	6.33
IP(EA), eV:	-9.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(3-amino-1-pyridin-4-ylisoindol-1-yl)phenyl]thiophene-2-carbaldehyde

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC2(C3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Br)N

DOS

IR

Vibrations