Geometry & MOs

Info

ID:	52483
PubChem CID:	12015361
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	349.167794
ΔH_f, kcal/mol:	-32.88
Dipole, Da:	2.99
IP(EA), eV:	-8.47(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[(Z)-4-hydroxy-4-(4-methoxyphenyl)-2-methylbut-1-enyl]indol-1-yl]ethanone

Drug info:

PubChemData

Smile

C/C(=C/C1=CN(C(=O)C2=CC=CC=C21)C)/CC(C3=CC=CC=C3)O

DOS

IR

Vibrations