Geometry & MOs

Info

ID:	333082
PubChem CID:	127251506
Reduced:	FON4C24H29 (1)
Stoich.:	ABC4D24E29 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-22.69
Dipole, Da:	1.3
IP(EA), eV:	-8.67(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-[4-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)CN2CCOC(C2)C3=NC(=CC(=C3)CC4=CC=C(C=C4)F)C

DOS

IR

Vibrations