Geometry & MOs

Info

ID:	332248
PubChem CID:	127250534
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	1.8
Dipole, Da:	1.66
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[6-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyridin-2-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=CC=CC(=N3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations