Geometry & MOs

Info

ID:	44393
PubChem CID:	10503358
Reduced:	FNOC13H16 (2)
Stoich.:	ABCD13E16 (2)
Weight, g/mol:	442.19328
ΔH_f, kcal/mol:	-182.71
Dipole, Da:	1.95
IP(EA), eV:	-8.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,6-bis(2-methylphenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCC(CC2)NC(=O)[C@@]([C@@H]3CCC(C3)(F)F)(C4=CC=CC=C4)O

DOS

IR

Vibrations