Geometry & MOs

Info

ID:	305720
PubChem CID:	124966392
Reduced:	ON3C21H21 (1)
Stoich.:	AB3C21D21 (1)
Weight, g/mol:	431.268511
ΔH_f, kcal/mol:	27.5
Dipole, Da:	6.86
IP(EA), eV:	-9.62(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[5,7-dimethyl-2-[(3R)-1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]pyrazolo[1,5-a]pyrimidin-6-yl]propanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC3=CC=CC=C3N=C2)CCC4=CC=NC=C4

DOS

IR

Vibrations