Geometry & MOs

Info

ID:	368561
PubChem CID:	127329464
Reduced:	O3N4C16H26 (1)
Stoich.:	A3B4C16D26 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-85.39
Dipole, Da:	3.12
IP(EA), eV:	-9.4(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(oxan-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)C(C)N2CCN(CC2)C(=O)CC3CCOCC3

DOS

IR

Vibrations