Geometry & MOs

Info

ID:	59354
PubChem CID:	24840666
Reduced:	NNaO17C47H74 (1)
Stoich.:	ABC17D47E74 (1)
Weight, g/mol:	159.100777
ΔH_f, kcal/mol:	-817.27
Dipole, Da:	7.89
IP(EA), eV:	-8.53(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(nitrosomethyl)-N-pentylnitrous amide

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC2CC3C(C(CC(O3)(CC(C(CCC(CC(CC(CC(=O)OC(C(C(C(C=CC=CCCC=CC=CC=CC=C2)C)O)C)C)O)O)O)O)O)O)O)C(=O)[O-])O)N)O.[Na+]

DOS

IR

Vibrations