Geometry & MOs

Info

ID:	217289
PubChem CID:	85087557
Reduced:	N5O5C15H19 (1)
Stoich.:	A5B5C15D19 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	-168.23
Dipole, Da:	4.65
IP(EA), eV:	-8.91(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-hydroxyimino-4-[2-(3-phenylprop-2-ynoxy)phenyl]but-3-enoate

Drug info:

PubChemData

Smile

CC(=O)OCC(C1CCC(O1)N2C=NC3=C(N=CN=C32)N)OC(=O)C

DOS

IR

Vibrations