Geometry & MOs

Info

ID:	232961
PubChem CID:	87577818
Reduced:	BrClINH2C5 (1)
Stoich.:	ABCDE2F5 (1)
Weight, g/mol:	413.97444
ΔH_f, kcal/mol:	57.83
Dipole, Da:	1.81
IP(EA), eV:	-9.91(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-iodo-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

C1=CN=C(C(=C1Br)Cl)I

DOS

IR

Vibrations