Geometry & MOs

Info

ID:	141226
PubChem CID:	52842472
Reduced:	ClN2O4C23H31 (1)
Stoich.:	AB2C4D23E31 (1)
Weight, g/mol:	298.189257
ΔH_f, kcal/mol:	-196.1
Dipole, Da:	3.01
IP(EA), eV:	-9.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(cyclopropanecarbonylamino)butanoyl-methylamino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)CN(C)C(=O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations