Geometry & MOs

Info

ID:	155984
PubChem CID:	56368604
Reduced:	BrClON3C17H17 (1)
Stoich.:	ABCD3E17F17 (1)
Weight, g/mol:	379.12593
ΔH_f, kcal/mol:	10.76
Dipole, Da:	2.27
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)adamantane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=CC=C2CNC(=O)C3=C(N=CC(=C3)Br)Cl

DOS

IR

Vibrations