Geometry & MOs

Info

ID:	305868
PubChem CID:	124971716
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	443.139151
ΔH_f, kcal/mol:	-56.72
Dipole, Da:	2.52
IP(EA), eV:	-9.01(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-[(1R)-1-pyridin-4-ylethyl]pyrrolidin-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)[C@H]2CN3C=CN=C3CN2C(=O)CN4CCOCC4

DOS

IR

Vibrations