Geometry & MOs

Info

ID:	190395
PubChem CID:	77996514
Reduced:	FO2N3C9H14 (1)
Stoich.:	AB2C3D9E14 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-152.79
Dipole, Da:	6.4
IP(EA), eV:	-10.07(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2-cyclohexa-2,4-dien-1-ylcyclopropyl)methoxy]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1C(C(CC2C1NC(=O)NC2=O)F)CN

DOS

IR

Vibrations