Geometry & MOs

Info

ID:	232157
PubChem CID:	87575618
Reduced:	ClO2N5C19H26 (1)
Stoich.:	AB2C5D19E26 (1)
Weight, g/mol:	471.03228
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	4.36
IP(EA), eV:	-8.61(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-iodo-7-[(4-methoxy-3-methyl-5-propan-2-ylpyridin-2-yl)methyl]pyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)CN2CC(C3=C2N=C(N=C3Cl)N)C(C)(C)CO

DOS

IR

Vibrations