Geometry & MOs

Info

ID:	125996
PubChem CID:	50947867
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	326.149124
ΔH_f, kcal/mol:	96.72
Dipole, Da:	5.95
IP(EA), eV:	-8.77(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCCN(CC1)CC2=NN=C3N2N=C(S3)/C=C/C4=CC=CO4

DOS

IR

Vibrations