Geometry & MOs

Info

ID:	131333
PubChem CID:	51191393
Reduced:	ClNO2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	291.143471
ΔH_f, kcal/mol:	-34.47
Dipole, Da:	2.84
IP(EA), eV:	-9.66(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)adamantane-2-carboxamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations