Geometry & MOs

Info

ID:	332091
PubChem CID:	127250377
Reduced:	ClON4C21H23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	391.200825
ΔH_f, kcal/mol:	41.12
Dipole, Da:	1.9
IP(EA), eV:	-8.74(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations