Geometry & MOs

Info

ID:	331609
PubChem CID:	127249618
Reduced:	ClN6C22H23 (1)
Stoich.:	AB6C22D23 (1)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	120.83
Dipole, Da:	4.87
IP(EA), eV:	-9.18(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[2-methyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3C=CC=N3)C4CCN(C4)CC5=CC=CC=C5Cl

DOS

IR

Vibrations