Geometry & MOs

Info

ID:	332070
PubChem CID:	127250356
Reduced:	ClON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	405.216475
ΔH_f, kcal/mol:	38.64
Dipole, Da:	1.87
IP(EA), eV:	-8.77(-0.83)
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-3-yl]benzamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations