Geometry & MOs

Info

ID:	447555
PubChem CID:	135283822
Reduced:	N7C24H27 (1)
Stoich.:	A7B24C27 (1)
Weight, g/mol:	240.101111
ΔH_f, kcal/mol:	103.82
Dipole, Da:	2.78
IP(EA), eV:	-8.27(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-2-methyl-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=NC(=C2C(=CNC2=N1)C3=CC(=NC=C3)N)C4=CC=C(C=C4)CN5CCN(CC5)C

DOS

IR

Vibrations