Geometry & MOs

Info

ID:	331614
PubChem CID:	127249623
Reduced:	O3N5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	371.232125
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	3.39
IP(EA), eV:	-8.76(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCOCC3)C4CCN(C4)C(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations