Geometry & MOs

Info

ID:	277718
PubChem CID:	103830555
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	295.02079
ΔH_f, kcal/mol:	-128.74
Dipole, Da:	6.5
IP(EA), eV:	-9.27(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-azabicyclo[2.2.1]heptan-2-yl-(4-bromo-3-hydroxyphenyl)methanone

Drug info:

PubChemData

Smile

CCC(C)NC(=O)CCNC(=O)C1=CC(=C(C=C1)Br)O

DOS

IR

Vibrations