Geometry & MOs

Info

ID:	319039
PubChem CID:	126654285
Reduced:	O3N5C23H29 (1)
Stoich.:	A3B5C23D29 (1)
Weight, g/mol:	528.475375
ΔH_f, kcal/mol:	-65.16
Dipole, Da:	4.08
IP(EA), eV:	-8.15(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dipropan-2-yl hexanedioate;icosan-9-ol

Drug info:

PubChemData

Smile

CC[C@@H]1C(=O)N(C2=CN=C(C=C2N1C3CCCC3)NC4=C(C=C(C=N4)C(=O)C)OC)C

DOS

IR

Vibrations