Geometry & MOs

Info

ID:	332088
PubChem CID:	127250374
Reduced:	N4O4C25H26 (1)
Stoich.:	A4B4C25D26 (1)
Weight, g/mol:	443.19574
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	5.83
IP(EA), eV:	-8.78(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-4-quinolin-8-yloxybutan-1-one

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)CC(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CN=C(C=C5)N)OC1

DOS

IR

Vibrations