Geometry & MOs

Info

ID:	74122
PubChem CID:	48421489
Reduced:	SO3N5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-27.4
Dipole, Da:	5.38
IP(EA), eV:	-9.29(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[cyclopropyl-[(2,5-dimethylpyrazol-3-yl)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)CCN(C1CC1)C(=O)NC2=NN=C(S2)C3=CC=CC=N3

DOS

IR

Vibrations