Geometry & MOs

Info

ID:	395527
PubChem CID:	135025710
Reduced:	BrClON3H11C19 (1)
Stoich.:	ABCD3E11F19 (1)
Weight, g/mol:	327.137162
ΔH_f, kcal/mol:	81.16
Dipole, Da:	6.85
IP(EA), eV:	-8.82(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)-(1-pyrimidin-2-ylindol-2-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2=CC3=C(N2C4=NC=CC=N4)C=CC(=C3)Cl)Br

DOS

IR

Vibrations