Geometry & MOs

Info

ID:	360336
PubChem CID:	127300979
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	352.201159
ΔH_f, kcal/mol:	-86.48
Dipole, Da:	2.97
IP(EA), eV:	-8.53(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)N3CCCC3C4=C(N(N=C4C)C)C

DOS

IR

Vibrations