Geometry & MOs

Info

ID:	322730
PubChem CID:	126670920
Reduced:	BrISN2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	377.185175
ΔH_f, kcal/mol:	29.36
Dipole, Da:	2.17
IP(EA), eV:	-8.84(-1.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indol-1-yl]-1-(5-methylpyrazolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)N2CCN(CC2)SI

DOS

IR

Vibrations