Geometry & MOs

Info

ID:	287849
PubChem CID:	104296432
Reduced:	BrNO2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	293.9714
ΔH_f, kcal/mol:	-32.58
Dipole, Da:	3.01
IP(EA), eV:	-9.39(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(5-methylthiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C3)Br

DOS

IR

Vibrations