Geometry & MOs

Info

ID:	36443
PubChem CID:	8006969
Reduced:	N2O2F3H13C16 (1)
Stoich.:	A2B2C3D13E16 (1)
Weight, g/mol:	345.113171
ΔH_f, kcal/mol:	-198.92
Dipole, Da:	2.47
IP(EA), eV:	-9.2(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyano-2-methoxyphenyl) (5S,7R)-3-chloroadamantane-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NCC(F)(F)F

DOS

IR

Vibrations