Geometry & MOs

Info

ID:	213837
PubChem CID:	81065179
Reduced:	N3O5C13H15 (1)
Stoich.:	A3B5C13D15 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-182.45
Dipole, Da:	3.69
IP(EA), eV:	-9.5(-1.3)
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-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CNC2=O)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations