Geometry & MOs

Info

ID:	181356
PubChem CID:	76733841
Reduced:	N2O6C17H18 (1)
Stoich.:	A2B6C17D18 (1)
Weight, g/mol:	388.179835
ΔH_f, kcal/mol:	-201.02
Dipole, Da:	3.24
IP(EA), eV:	-9.87(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,2-dimethyl-4H-1,3-dioxin-5-yl)-3-[[1-(4-fluorophenyl)cyclopropyl]amino]prop-1-enyl]imino-3-hydroxypropan-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(CO)NC(=O)C2=CN=C(C(=C2CO)O)C(=O)CO

DOS

IR

Vibrations