Geometry & MOs

Info

ID:	162105
PubChem CID:	57393633
Reduced:	NO3H15C19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	510.03012
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	6.45
IP(EA), eV:	-8.3(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-iodoanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/C=CC(=CN2)C(=O)C3=CC(=CC=C3)O)/C=CC1=O

DOS

IR

Vibrations