Geometry & MOs

Info

ID:	319423
PubChem CID:	126655967
Reduced:	ON3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	413.221561
ΔH_f, kcal/mol:	65.22
Dipole, Da:	3.7
IP(EA), eV:	-8.95(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[3-[7-(propoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-5,7-dihydrocyclopenta[b]pyridin-6-yl]methanamine

Drug info:

PubChemData

Smile

C/C=C/CC1=C(C(=CC(=C1)C)N2N=C3C=CC=CC3=N2)O

DOS

IR

Vibrations