Geometry & MOs

Info

ID:	157805
PubChem CID:	56437362
Reduced:	N2O4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	398.184172
ΔH_f, kcal/mol:	-208.28
Dipole, Da:	4.95
IP(EA), eV:	-9.15(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[5-[(2-cyanophenoxy)methyl]furan-2-carbonyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CCC1=C(NC(=C1C(=O)C)C)C(=O)N(C)CCCC(=O)OC(C)(C)C

DOS

IR

Vibrations