Geometry & MOs

Info

ID:	214635
PubChem CID:	85083321
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	563.267173
ΔH_f, kcal/mol:	-66.95
Dipole, Da:	5.69
IP(EA), eV:	-8.68(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylindol-1-yl)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)NCC3CCN(CC3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations