Geometry & MOs

Info

ID:	258364
PubChem CID:	103153214
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	311.093977
ΔH_f, kcal/mol:	-208.35
Dipole, Da:	3.84
IP(EA), eV:	-9.23(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1,3-dimethylthieno[2,3-c]pyrazole-5-carbonyl)amino]-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

CCC(C(=O)NCC(CC(=O)O)OC)OC1=CC=CC=C1

DOS

IR

Vibrations