Geometry & MOs

Info

ID:	448745
PubChem CID:	135293239
Reduced:	OSN6C10H16 (1)
Stoich.:	ABC6D10E16 (1)
Weight, g/mol:	396.190989
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	6.09
IP(EA), eV:	-8.99(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(3-morpholin-4-yl-1H-pyrazolo[4,3-c]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CSCCNC(=O)NC1=NC=C(C(=C1)N)C(=N)N

DOS

IR

Vibrations