Geometry & MOs

Info

ID:	287852
PubChem CID:	104296465
Reduced:	BrNO2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	327.02588
ΔH_f, kcal/mol:	-26.85
Dipole, Da:	2.95
IP(EA), eV:	-9.28(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-3-methylphenyl)-(6-methyl-1H-indol-3-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)C2=CC=C(C=C2)N(C)C=O)Br

DOS

IR

Vibrations