Geometry & MOs

Info

ID:	309771
PubChem CID:	126558078
Reduced:	F2O3N5H19C26 (1)
Stoich.:	A2B3C5D19E26 (1)
Weight, g/mol:	390.27701
ΔH_f, kcal/mol:	-51.97
Dipole, Da:	7.08
IP(EA), eV:	-9.42(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylcycloheptyl) 2-[[4-ethyl-4-(2-methylprop-2-enoyloxy)cyclohexyl]methyl]prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@]12CC(=O)N(C(=O)N1CCN(C2=O)C3=CN=NC=C3)C4=C(C=C(C=C4F)C#CC5=CC=CC=C5)F

DOS

IR

Vibrations