Geometry & MOs

Info

ID:	343774
PubChem CID:	127266950
Reduced:	NSO5C15H23 (1)
Stoich.:	ABC5D15E23 (1)
Weight, g/mol:	345.168856
ΔH_f, kcal/mol:	-196.47
Dipole, Da:	4.8
IP(EA), eV:	-8.86(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-methoxy-2-[[2-(pyrazol-1-ylmethyl)morpholin-4-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CCN(CCS(=O)(=O)C)CC1=C(C=CC=C1OC)C(=O)OC

DOS

IR

Vibrations