Geometry & MOs

Info

ID:	20621
PubChem CID:	584882
Reduced:	BrNO2C24H24 (1)
Stoich.:	ABC2D24E24 (1)
Weight, g/mol:	437.09904
ΔH_f, kcal/mol:	-56.04
Dipole, Da:	2.93
IP(EA), eV:	-9.04(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-benzoyl-4-bromophenyl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)C5=CC=CC=C5

DOS

IR

Vibrations