Geometry & MOs

Info

ID:	435328
PubChem CID:	135191209
Reduced:	N3C9H13 (2)
Stoich.:	A3B9C13 (2)
Weight, g/mol:	273.97154
ΔH_f, kcal/mol:	70.87
Dipole, Da:	2.94
IP(EA), eV:	-8.41(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-iodo-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CN(C1C[C@H]2CN(CC2C1)CCCN=C)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations