Geometry & MOs

Info

ID:	439045
PubChem CID:	135228808
Reduced:	N3C32H39 (1)
Stoich.:	A3B32C39 (1)
Weight, g/mol:	197.062283
ΔH_f, kcal/mol:	98.22
Dipole, Da:	9.05
IP(EA), eV:	-7.57(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclobutyl-5-hydroxysulfanylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(N3C=C(C(=C)C=C3C2=C1)C(=C)C#N)C(C)(C)C)/C(=C/NC(C)(C)C=C)/C=C

DOS

IR

Vibrations