Geometry & MOs

Info

ID:	363162
PubChem CID:	127310195
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-58.43
Dipole, Da:	4.85
IP(EA), eV:	-9.08(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(4-methylpyrazol-1-yl)methyl]morpholin-4-yl]-2-(oxan-2-ylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC2CN(CCO2)C(=O)C3=CC4=C(COC4)C=C3

DOS

IR

Vibrations