Geometry & MOs

Info

ID:	159406
PubChem CID:	57280011
Reduced:	OPSC2H5 (1)
Stoich.:	ABCD2E5 (1)
Weight, g/mol:	401.09904
ΔH_f, kcal/mol:	-39.12
Dipole, Da:	3.36
IP(EA), eV:	-9.51(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-bromophenyl)methyl]-5-methoxy-2-methylindol-3-yl]-2-methylpropan-1-ol

Drug info:

PubChemData

Smile

C=CSP=O

DOS

IR

Vibrations