Geometry & MOs

Info

ID:	196361
PubChem CID:	78815040
Reduced:	ClOSN5H16C23 (1)
Stoich.:	ABCD5E16F23 (1)
Weight, g/mol:	297.168856
ΔH_f, kcal/mol:	110.84
Dipole, Da:	3.39
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methylpyrazol-4-yl)methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC(=O)N5C=C(C=CC5=N4)Cl

DOS

IR

Vibrations