Geometry & MOs

Info

ID:	333036
PubChem CID:	127251460
Reduced:	FO2N3H24C27 (1)
Stoich.:	AB2C3D24E27 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-32.01
Dipole, Da:	5.33
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(4-methoxyphenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3=CC=CC4=C3N=CC=C4)CC5=CC=CC=C5F

DOS

IR

Vibrations