Geometry & MOs

Info

ID:	171902
PubChem CID:	75438980
Reduced:	N2O2C19H26 (1)
Stoich.:	A2B2C19D26 (1)
Weight, g/mol:	325.182398
ΔH_f, kcal/mol:	-55.45
Dipole, Da:	5.44
IP(EA), eV:	-8.4(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[(2,6-dimethylthiomorpholin-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]propanoate

Drug info:

PubChemData

Smile

CN1CCC2(CCCN2C(=O)/C=C/C3=CC=CC=C3OC)CC1

DOS

IR

Vibrations