Geometry & MOs

Info

ID:	232499
PubChem CID:	87576327
Reduced:	N2O20C33H42 (1)
Stoich.:	A2B20C33D42 (1)
Weight, g/mol:	396.396731
ΔH_f, kcal/mol:	-637.38
Dipole, Da:	12.32
IP(EA), eV:	-9.74(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hexyldecyl 2-propylheptanoate

Drug info:

PubChemData

Smile

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)OCCOCCOCCOCCC(COCCOCCOCCOC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)CC(=O)O

DOS

IR

Vibrations