Geometry & MOs

Info

ID:	190918
PubChem CID:	78076275
Reduced:	N14O15C49H68 (1)
Stoich.:	A14B15C49D68 (1)
Weight, g/mol:	368.280084
ΔH_f, kcal/mol:	-478.38
Dipole, Da:	16.25
IP(EA), eV:	-9.41(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(3-carboxy-2-tetradeca-5,8-dienoyloxypropyl)-trimethylazanium

Drug info:

Smile

CC(C)CC(C(=O)NC(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C2CCCN2C(=O)CC3=CC(=O)OC4=C3C=CC(=C4)OC

DOS

IR

Vibrations