Geometry & MOs

Info

ID:	230416
PubChem CID:	87570847
Reduced:	N3O3C61H115 (1)
Stoich.:	A3B3C61D115 (1)
Weight, g/mol:	320.07758
ΔH_f, kcal/mol:	-332.95
Dipole, Da:	6.17
IP(EA), eV:	-9.51(0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-adamantyl)-6-bromo-4-methylphenol

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCCC(=O)CCC(NCCCCNC(=O)CCCCCCC/C=C/CCCCCCCC)NC(=O)CCCCCCC/C=C/CCCCCCCC

DOS

IR

Vibrations