Geometry & MOs

Info

ID:	309578
PubChem CID:	126549341
Reduced:	NSC11H17 (1)
Stoich.:	ABC11D17 (1)
Weight, g/mol:	542.240831
ΔH_f, kcal/mol:	15.92
Dipole, Da:	1.76
IP(EA), eV:	-9.16(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-chloro-4-[2-(prop-2-enoylamino)anilino]pyrimidin-2-yl]amino]-N-(1-cyclopentyl-2-hydroxyethoxy)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CCCC(C)(C)C1=CN=C(S1)C=C

DOS

IR

Vibrations