Geometry & MOs

Info

ID:	233204
PubChem CID:	89449271
Reduced:	BrNO2C6H6 (1)
Stoich.:	ABC2D6E6 (1)
Weight, g/mol:	498.17102
ΔH_f, kcal/mol:	-19.32
Dipole, Da:	3.15
IP(EA), eV:	-10.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-(2-chlorophenyl)ethyl] N-[5-(7-cyclopropyl-9,10-dihydrophenanthren-2-yl)-3-methyl-1,2-oxazol-4-yl]carbamate

Drug info:

PubChemData

Smile

CC1=NOC(=C1C(=O)C)Br

DOS

IR

Vibrations