Geometry & MOs

Info

ID:	425839
PubChem CID:	135128241
Reduced:	SN7C20H21 (1)
Stoich.:	AB7C20D21 (1)
Weight, g/mol:	422.152495
ΔH_f, kcal/mol:	125.06
Dipole, Da:	3.61
IP(EA), eV:	-8.17(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(CC1)NC2=NC(=NC3=C2SC=C3)NC4=CN(N=C4)C5=CN=CC=C5

DOS

IR

Vibrations