Geometry & MOs

Info

ID:	194731
PubChem CID:	78582687
Reduced:	BrN2O3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	341.074948
ΔH_f, kcal/mol:	-55.83
Dipole, Da:	7.17
IP(EA), eV:	-10.3(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-(4-chloro-2-fluorophenyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C#N)(C1CC1)NC(=O)COC(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations