Geometry & MOs

Info

ID:	157771
PubChem CID:	56437108
Reduced:	O3N4C24H36 (1)
Stoich.:	A3B4C24D36 (1)
Weight, g/mol:	401.200237
ΔH_f, kcal/mol:	-113.61
Dipole, Da:	5.51
IP(EA), eV:	-8.89(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[(4-fluorophenyl)methoxy]benzoyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)N(C)CCCC(=O)OC(C)(C)C)C(C)(C)C

DOS

IR

Vibrations