Geometry & MOs

Info

ID:	333747
PubChem CID:	127252299
Reduced:	ClO3N5C19H20 (1)
Stoich.:	AB3C5D19E20 (1)
Weight, g/mol:	377.148789
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	1.2
IP(EA), eV:	-9.33(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[4-(1H-pyrazole-5-carbonyl)morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

C1COC(CN1C(=O)C2=CC=NN2)C3=NNC(=C3)CCOC4=CC(=CC=C4)Cl

DOS

IR

Vibrations