Geometry & MOs

Info

ID:	332332
PubChem CID:	127250618
Reduced:	O2N5C24H29 (1)
Stoich.:	A2B5C24D29 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-7.1
Dipole, Da:	0.68
IP(EA), eV:	-8.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-1-[3-oxo-3-[2-[6-(1H-pyrazol-5-yl)pyridin-2-yl]morpholin-4-yl]propyl]quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1CN2CCOC(C2)C3=CC=CC(=N3)C4=CN=C(N=C4)N)C)C)OC

DOS

IR

Vibrations