Geometry & MOs

Info

ID:	309948
PubChem CID:	126569361
Reduced:	ClN4O4C14H19 (1)
Stoich.:	AB4C4D14E19 (1)
Weight, g/mol:	522.443681
ΔH_f, kcal/mol:	-91.78
Dipole, Da:	2.79
IP(EA), eV:	-10.3(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[2,5-diethyl-4-(3-methylpentan-3-yl)phenyl]methoxy]ethoxymethyl]-2,5-diethyl-4-(3-methylpentan-3-yl)benzene

Drug info:

PubChemData

Smile

CCC1C[C@@H](CC[C@@]1(C)C(=O)O)NC2=NC(=NC=C2[N+](=O)[O-])Cl

DOS

IR

Vibrations