Geometry & MOs

Info

ID:	395526
PubChem CID:	135025709
Reduced:	O5C6H12 (1)
Stoich.:	A5B6C12 (1)
Weight, g/mol:	410.9774
ΔH_f, kcal/mol:	-241.63
Dipole, Da:	1.32
IP(EA), eV:	-10.51(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromophenyl)-(5-chloro-1-pyrimidin-2-ylindol-2-yl)methanone

Drug info:

PubChemData

Smile

C1[C@@H](C(C([C@H](C1O)O)O)O)O

DOS

IR

Vibrations