Geometry & MOs

Info

ID:	381373
PubChem CID:	134972090
Reduced:	NO2C26H30 (1)
Stoich.:	AB2C26D30 (1)
Weight, g/mol:	387.219829
ΔH_f, kcal/mol:	-16.55
Dipole, Da:	4.22
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763057
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-cyclohexyl-5-methyl-4-phenyl-4H-1,3-dioxin-2-yl)methyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=C([OH+]C(OC1C2=CC=CC=C2)CC3=CNC4=CC=CC=C43)C5CCCCC5

DOS

IR

Vibrations