Geometry & MOs

Info

ID:	332964
PubChem CID:	127251388
Reduced:	ON3C12H17 (2)
Stoich.:	AB3C12D17 (2)
Weight, g/mol:	434.231791
ΔH_f, kcal/mol:	-37.15
Dipole, Da:	3.21
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-[2-[6-methyl-4-(1-methylpyrazol-4-yl)pyridin-2-yl]morpholin-4-yl]-2-(3-methylphenoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)CCCN3CCCCCC3)C4=CN=C(N=C4)N

DOS

IR

Vibrations