Geometry & MOs

Info

ID:	333695
PubChem CID:	127252247
Reduced:	O2N5C25H31 (1)
Stoich.:	A2B5C25D31 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-51.45
Dipole, Da:	5.54
IP(EA), eV:	-9.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCC(=O)N(C2=NC(=N1)C3CCN(C3)C(=O)C4=CN=CC=C4)CC5CCCCC5

DOS

IR

Vibrations