Geometry & MOs

Info

ID:	398140
PubChem CID:	135031972
Reduced:	BrNOH20C21 (1)
Stoich.:	ABCD20E21 (1)
Weight, g/mol:	361.167794
ΔH_f, kcal/mol:	27.86
Dipole, Da:	6.49
IP(EA), eV:	-8.05(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2-methoxy-1-methyl-3-phenylcyclopent-2-en-1-yl)-1H-indole-5-carboxylate

Drug info:

PubChemData

Smile

CC1(CCC(=C1OC)C2=CC=CC=C2)C3=CNC4=C3C=C(C=C4)Br

DOS

IR

Vibrations