Geometry & MOs

Info

ID:	65471
PubChem CID:	38671794
Reduced:	O3N4C17H24 (1)
Stoich.:	A3B4C17D24 (1)
Weight, g/mol:	435.100125
ΔH_f, kcal/mol:	-95.61
Dipole, Da:	2.57
IP(EA), eV:	-9.09(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-3-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonitrile

Drug info:

PubChemData

Smile

CCN(CC)C(=O)[C@H](C)OC(=O)C1=C(N=C2C(=C1)C(=NN2C)C)C

DOS

IR

Vibrations