Geometry & MOs

Info

ID:	233764
PubChem CID:	92093386
Reduced:	BrO2N4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	48.56
Dipole, Da:	1.83
IP(EA), eV:	-9.23(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-(furan-2-yl)pyridin-3-yl]methyl]-1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CN1C(=C2C=CC(=CC2=N1)Br)C(=O)NCC3=CN=C(C=C3)C4=CC=CO4

DOS

IR

Vibrations