Geometry & MOs

Info

ID:	154479
PubChem CID:	56313924
Reduced:	BrFNOC18H19 (1)
Stoich.:	ABCDE18F19 (1)
Weight, g/mol:	407.12601
ΔH_f, kcal/mol:	-62.27
Dipole, Da:	3.71
IP(EA), eV:	-9.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[2-(2-fluorophenyl)-2-methylpropyl]adamantane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CC1=CC=C(C=C1)Br)C2=CC=CC=C2F

DOS

IR

Vibrations