Geometry & MOs

Info

ID:	180677
PubChem CID:	76667990
Reduced:	ON4C17H26 (1)
Stoich.:	AB4C17D26 (1)
Weight, g/mol:	419.243359
ΔH_f, kcal/mol:	-3.24
Dipole, Da:	2.42
IP(EA), eV:	-8.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-methylpyridin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(C(C1)C2CC(NN2)N)CC(=O)C3=CC=CC=C3

DOS

IR

Vibrations