Geometry & MOs

Info

ID:	425843
PubChem CID:	135128270
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	422.152495
ΔH_f, kcal/mol:	34.14
Dipole, Da:	2.51
IP(EA), eV:	-8.32(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[[4-[(4-hydroxycyclohexyl)amino]thieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]phenol

Drug info:

PubChemData

Smile

C1COCCN1C2=CC=CC(=C2)N3C=C(C=N3)N

DOS

IR

Vibrations