Geometry & MOs

Info

ID:	160199
PubChem CID:	57305002
Reduced:	N2O4C31H48 (1)
Stoich.:	A2B4C31D48 (1)
Weight, g/mol:	1197.189405
ΔH_f, kcal/mol:	-172.71
Dipole, Da:	2.06
IP(EA), eV:	-8.55(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[12,12-bis(2,5-dimethylphenyl)-2,20-dimethyl-10,11,11-tris(8-methylnonyl)henicosan-10-yl]-2,5-dimethyl-3-(8-methylnonyl)benzene

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCOC1=C(C=CC(=C1)C(=O)N(CC2=CC=CCN2C)C(=O)C)OC

DOS

IR

Vibrations