Geometry & MOs

Info

ID:	333143
PubChem CID:	127251691
Reduced:	O3N5C21H25 (1)
Stoich.:	A3B5C21D25 (1)
Weight, g/mol:	422.206639
ΔH_f, kcal/mol:	-51.0
Dipole, Da:	5.29
IP(EA), eV:	-8.66(-1.22)
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-2-ylmethanone

Drug info:

PubChemData

Smile

CCC(=O)N1CCOC(C1)C2=CC=NC3=C(C(=NN23)C)CN4C=C(C=CC4=O)C

DOS

IR

Vibrations