Geometry & MOs

Info

ID:	448506
PubChem CID:	135291416
Reduced:	FN6C34H39 (1)
Stoich.:	AB6C34D39 (1)
Weight, g/mol:	178.121846
ΔH_f, kcal/mol:	30.74
Dipole, Da:	3.6
IP(EA), eV:	-7.97(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyclobutyl-2-methylpyrimidine-4,5-diamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1N2CCC(CC2)C3=CC=CC=C3)F)N4C(CCC4C5=CC(=C(C=C5)N)N)C6=CC(=C(C=C6)N)N

DOS

IR

Vibrations