Geometry & MOs

Info

ID:	353122
PubChem CID:	127284302
Reduced:	N3O3C21H29 (1)
Stoich.:	A3B3C21D29 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-116.63
Dipole, Da:	5.69
IP(EA), eV:	-8.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)C(=O)C3=C4C(=CC=C3)NC(=O)C(O4)C)C

DOS

IR

Vibrations