Geometry & MOs

Info

ID:	332263
PubChem CID:	127250549
Reduced:	F2O2N4H22C25 (1)
Stoich.:	A2B2C4D22E25 (1)
Weight, g/mol:	391.16444
ΔH_f, kcal/mol:	-72.22
Dipole, Da:	3.16
IP(EA), eV:	-9.05(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(1-methylpyrazole-4-carbonyl)morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N1CC(=O)N3CCOC(C3)C4=CC=CC(=N4)C5=C(C=CC=C5F)F

DOS

IR

Vibrations