Geometry & MOs

Info

ID:	446316
PubChem CID:	135274002
Reduced:	FN2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	463.25834
ΔH_f, kcal/mol:	-11.22
Dipole, Da:	4.62
IP(EA), eV:	-8.7(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[5-(4-hydroxycyclohexyl)-2-methanimidoyl-4-methylanilino]-2-methylpyrimidin-4-yl]-3-azabicyclo[3.1.1]heptane-6-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2=C(C=C(C=C2)C(C)C)F

DOS

IR

Vibrations