Geometry & MOs

Info

ID:	350594
PubChem CID:	127278629
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	335.17461
ΔH_f, kcal/mol:	-117.69
Dipole, Da:	9.09
IP(EA), eV:	-8.63(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-anilinopyrrolidin-1-yl)-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CC1NC2=CC=CC=C2)C(=O)CC3CCS(=O)(=O)C3

DOS

IR

Vibrations