Geometry & MOs

Info

ID:	312055
PubChem CID:	126602167
Reduced:	BrNO2C13H18 (1)
Stoich.:	ABC2D13E18 (1)
Weight, g/mol:	317.116427
ΔH_f, kcal/mol:	-92.6
Dipole, Da:	4.06
IP(EA), eV:	-9.44(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-carbazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)C(C)(C1=CC=C(C=C1)Br)OC(=O)N

DOS

IR

Vibrations