Geometry & MOs

Info

ID:	217493
PubChem CID:	85087900
Reduced:	N5O6H10C16 (1)
Stoich.:	A5B6C10D16 (1)
Weight, g/mol:	370.10472
ΔH_f, kcal/mol:	-38.26
Dipole, Da:	9.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.059709
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(1-phenylselanyloctan-2-yloxy)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC(=O)N[N+]2=C3C=CC(=CC3=NC(=O)C2=O)[N+](=O)[O-]

DOS

IR

Vibrations