Geometry & MOs

Info

ID:	263141
PubChem CID:	103341726
Reduced:	ClN3H8C9 (1)
Stoich.:	AB3C8D9 (1)
Weight, g/mol:	244.168797
ΔH_f, kcal/mol:	53.98
Dipole, Da:	2.64
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N,5-dimethyl-6-(1H-pyrrol-2-yl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=C(N=CN=C1Cl)C2=CC=CN2

DOS

IR

Vibrations