Geometry & MOs

Info

ID:	163345
PubChem CID:	57807916
Reduced:	N2O3C27H30 (1)
Stoich.:	A2B3C27D30 (1)
Weight, g/mol:	519.255815
ΔH_f, kcal/mol:	-71.5
Dipole, Da:	5.12
IP(EA), eV:	-8.29(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-N-[3-(4-methylpiperazin-1-yl)phenyl]pyrrolo[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(CC2=CN=CC=C2)CC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations