Geometry & MOs

Info

ID:	306349
PubChem CID:	125003865
Reduced:	ON6C24H24 (1)
Stoich.:	AB6C24D24 (1)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	87.37
Dipole, Da:	4.42
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-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=NC=CN1C2=CC=CC(=N2)[C@@H]3CCCN3C(=O)C4=CC=C(C=C4)CN5C=CC=N5

DOS

IR

Vibrations