Geometry & MOs

Info

ID:	332142
PubChem CID:	127250428
Reduced:	O2N4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	408.196154
ΔH_f, kcal/mol:	-17.99
Dipole, Da:	2.57
IP(EA), eV:	-8.35(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluoro-3-methylphenyl)-1-[2-[5-(1H-pyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]butan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations