Geometry & MOs

Info

ID:	160789
PubChem CID:	57389785
Reduced:	N5O5C28H37 (1)
Stoich.:	A5B5C28D37 (1)
Weight, g/mol:	331.154544
ΔH_f, kcal/mol:	-202.8
Dipole, Da:	6.34
IP(EA), eV:	-8.99(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methylpyridin-4-yl)methyl]-5-(7H-pyrrolo[2,3-d]pyrimidin-5-ylmethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C3=CC=CC=C23)C(=O)CC4=NC(=CC(=O)N4C)N5CCOCC5

DOS

IR

Vibrations