Geometry & MOs

Info

ID:	155234
PubChem CID:	56323066
Reduced:	FN5O5C24H24 (1)
Stoich.:	AB5C5D24E24 (1)
Weight, g/mol:	465.164833
ΔH_f, kcal/mol:	-145.07
Dipole, Da:	6.9
IP(EA), eV:	-8.38(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[5-(benzylamino)-3-(2-methoxyethyl)-2,6-dioxopyrimidin-4-yl]-3-(2-nitrophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

COCCN1C(=C(C(=O)NC1=O)NCC2=CC=CC=C2)NC(=O)C3CC(=NO3)C4=CC(=CC=C4)F

DOS

IR

Vibrations