Geometry & MOs

Info

ID:	396117
PubChem CID:	135027450
Reduced:	N5O6H13C15 (1)
Stoich.:	A5B6C13D15 (1)
Weight, g/mol:	1230.028941
ΔH_f, kcal/mol:	-41.51
Dipole, Da:	10.27
IP(EA), eV:	-9.61(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4R,6R,8R,9R,10S,11S)-2,2-dimethyl-4-nonatetracontyl-9,10,11-tris(phenylmethoxy)-1,3,7-trioxaspiro[5.5]undecan-8-yl]acetonitrile

Drug info:

PubChemData

Smile

COC(=O)C1=C(N2C(=NC1C3=CC(=CC=C3)[N+](=O)[O-])N=CN2)C(=O)OC

DOS

IR

Vibrations