Geometry & MOs

Info

ID:	309485
PubChem CID:	126546561
Reduced:	OC6H11 (2)
Stoich.:	AB6C11 (2)
Weight, g/mol:	394.112953
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	3.86
IP(EA), eV:	-9.53(2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[[1-(3-phosphanylpyridin-2-yl)cyclobutyl]methylamino]pyrimidin-5-yl]-1,3-thiazol-5-yl]acetonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC1CCC2(CC1)COC2

DOS

IR

Vibrations