Geometry & MOs

Info

ID:	126306
PubChem CID:	50959067
Reduced:	O2N3C18H19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	370.119654
ΔH_f, kcal/mol:	15.61
Dipole, Da:	1.57
IP(EA), eV:	-9.25(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-chlorophenyl)methyl]-4-(3-propan-2-yl-1,2-oxazol-5-yl)-4,5-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

Drug info:

PubChemData

Smile

CCC(C)N(CC#CC1=CC=CC=C1)C(=O)C2=CNC(=O)C=N2

DOS

IR

Vibrations