Geometry & MOs

Info

ID:	60986
PubChem CID:	26703939
Reduced:	N5O5C25H29 (1)
Stoich.:	A5B5C25D29 (1)
Weight, g/mol:	474.201553
ΔH_f, kcal/mol:	-166.13
Dipole, Da:	10.71
IP(EA), eV:	-8.45(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)CC3=CC=C(C=C3)N4CCCC4=O)N

DOS

IR

Vibrations