Geometry & MOs

Info

ID:	218162
PubChem CID:	85088974
Reduced:	ON7H21C25 (1)
Stoich.:	AB7C21D25 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	116.78
Dipole, Da:	4.52
IP(EA), eV:	-8.63(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(oxan-2-yloxyimino)-4-[2-(3-phenylprop-2-enoxy)phenyl]but-3-enoate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=CN=CC(=N2)N3C=NC4=C3C=CC(=C4)NC(=O)C5=CN=CC=C5

DOS

IR

Vibrations