Geometry & MOs

Info

ID:	306462
PubChem CID:	125011812
Reduced:	O2N5C25H37 (1)
Stoich.:	A2B5C25D37 (1)
Weight, g/mol:	439.294725
ΔH_f, kcal/mol:	-78.5
Dipole, Da:	5.42
IP(EA), eV:	-8.84(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[5,7-dimethyl-2-[(2S)-1-[(2R)-2-methylbutanoyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)C(=O)N1CCC[C@@H]1C2=NN3C(=C(C(=NC3=C2)C)CCC(=O)NC4CCCC4)C

DOS

IR

Vibrations