Geometry & MOs

Info

ID:	151068
PubChem CID:	53790765
Reduced:	N4O7C29H38 (1)
Stoich.:	A4B7C29D38 (1)
Weight, g/mol:	343.194757
ΔH_f, kcal/mol:	-269.79
Dipole, Da:	6.44
IP(EA), eV:	-9.51(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-propylphenyl) 4-(4-cyano-4-fluorobut-3-enyl)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C[C@](C(=O)NC1CN(CC1O)C(=O)CN(C)C(=O)OCC2=CC=CC=C2)(C(=O)OCC3=CC=CC=C3)N

DOS

IR

Vibrations