Geometry & MOs

Info

ID:	314077
PubChem CID:	126620340
Reduced:	O2N5C16H17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	282.148061
ΔH_f, kcal/mol:	-21.09
Dipole, Da:	7.96
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-methoxyphenyl)-N,2,5-trimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CCCC2=CC3=C(N2)NC(=NC3=O)N)C(=O)N

DOS

IR

Vibrations