Geometry & MOs

Info

ID:	170664
PubChem CID:	75265605
Reduced:	OS2N4C19H22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	436.168145
ΔH_f, kcal/mol:	17.03
Dipole, Da:	4.69
IP(EA), eV:	-8.31(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC=C(S1)C=C2CCN3C2=NC4=C(C3=O)C(=C(S4)C)C

DOS

IR

Vibrations