Geometry & MOs

Info

ID:	417235
PubChem CID:	135091754
Reduced:	NOC9H13 (2)
Stoich.:	ABC9D13 (2)
Weight, g/mol:	393.18009
ΔH_f, kcal/mol:	-83.78
Dipole, Da:	5.25
IP(EA), eV:	-9.28(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-(3-morpholin-4-yl-5-phenyl-1,2-oxazol-4-yl)methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)CCC3=CC=NC=C3

DOS

IR

Vibrations