Geometry & MOs

Info

ID:	371845
PubChem CID:	131274750
Reduced:	NOC6H7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	244.96069
ΔH_f, kcal/mol:	-63.76
Dipole, Da:	4.57
IP(EA), eV:	-8.24(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-chloro-2-methyl-2,3-dihydro-1H-indole

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C=C(C=C2N)C(=O)OC)C

DOS

IR

Vibrations