Geometry & MOs

Info

ID:	232854
PubChem CID:	87577249
Reduced:	NP2H29C35 (1)
Stoich.:	AB2C29D35 (1)
Weight, g/mol:	346.083268
ΔH_f, kcal/mol:	126.39
Dipole, Da:	3.1
IP(EA), eV:	-8.1(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-4-chloro-7-[(4-methoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=C(C(=CN2)P(C3=CC=CC=C3)C4=CC=CC=C4)P(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations