Geometry & MOs

Info

ID:	8044
PubChem CID:	74796
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	263.131014
ΔH_f, kcal/mol:	28.82
Dipole, Da:	1.65
IP(EA), eV:	-8.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3,3-dimethylindol-2-yl)ethenyl]phenol

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N=C1C=CC3=CC=C(C=C3)O)C

DOS

IR

Vibrations