Geometry & MOs

Info

ID:	435455
PubChem CID:	135191501
Reduced:	ClIO2N5C17H23 (1)
Stoich.:	ABC2D5E17F23 (1)
Weight, g/mol:	325.165108
ΔH_f, kcal/mol:	-58.4
Dipole, Da:	4.37
IP(EA), eV:	-8.79(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-amino-4-methanimidoylphenyl)-4-N-(2-methoxyethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)CNC2=NC(=NC3=C2C(=CN3)I)Cl

DOS

IR

Vibrations