Geometry & MOs

Info

ID:	197949
PubChem CID:	79019960
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	330.06193
ΔH_f, kcal/mol:	-216.01
Dipole, Da:	6.41
IP(EA), eV:	-9.55(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-methylphenyl)-(4-tert-butylphenyl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CC1=C(N=CC=C1)OC)C(=O)O

DOS

IR

Vibrations