Geometry & MOs

Info

ID:	187104
PubChem CID:	77530338
Reduced:	BrNH14C18 (1)
Stoich.:	ABC14D18 (1)
Weight, g/mol:	322.28718
ΔH_f, kcal/mol:	66.19
Dipole, Da:	2.61
IP(EA), eV:	-9.28(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-20-methylcycloicos-2-en-1-one

Drug info:

PubChemData

Smile

C1CC2=CC=CC=C2C1C3=NC4=C(C=C3)C=C(C=C4)Br

DOS

IR

Vibrations