Geometry & MOs

Info

ID:	168822
PubChem CID:	75023517
Reduced:	ClON4C23H27 (1)
Stoich.:	ABC4D23E27 (1)
Weight, g/mol:	538.496111
ΔH_f, kcal/mol:	48.77
Dipole, Da:	3.6
IP(EA), eV:	-8.71(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[5-(1-hydroxytridecyl)oxolan-2-yl]oxolan-2-yl]tridecan-1-ol

Drug info:

PubChemData

Smile

CN(C)CCC1=C2C=C(NC2=CC=C1)C3=NC(NO3)CCCC4=CC=C(C=C4)Cl

DOS

IR

Vibrations