Geometry & MOs

Info

ID:	314078
PubChem CID:	126620342
Reduced:	ON4C16H18 (1)
Stoich.:	AB4C16D18 (1)
Weight, g/mol:	296.163711
ΔH_f, kcal/mol:	29.06
Dipole, Da:	3.67
IP(EA), eV:	-8.25(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-N,2,6-trimethyl-5-methylidene-6,7-dihydropyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=CNC2=C1C(=NC(=N2)C)N(C)C3=CC=C(C=C3)OC

DOS

IR

Vibrations