Geometry & MOs

Info

ID:	362169
PubChem CID:	127305890
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	366.18559
ΔH_f, kcal/mol:	-55.04
Dipole, Da:	2.97
IP(EA), eV:	-8.71(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)CN2CCC(CC2)CNC(=O)C3CC4=CC=CC=C4S3)C

DOS

IR

Vibrations