Geometry & MOs

Info

ID:	332270
PubChem CID:	127250556
Reduced:	O2N6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	28.36
Dipole, Da:	3.71
IP(EA), eV:	-8.95(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-1-[2-[6-(1H-pyrazol-5-yl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CNC1=NC=CC(=C1)C(=O)N2CCOC(C2)C3=CC=CC(=N3)C4=CNN=C4

DOS

IR

Vibrations