Geometry & MOs

Info

ID:	60987
PubChem CID:	26703943
Reduced:	O4N6C25H26 (1)
Stoich.:	A4B6C25D26 (1)
Weight, g/mol:	449.206304
ΔH_f, kcal/mol:	-51.44
Dipole, Da:	9.04
IP(EA), eV:	-8.99(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(furan-2-ylmethyl)-2-(2-methylindol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CO2)C(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4)N

DOS

IR

Vibrations