Geometry & MOs

Info

ID:	276262
PubChem CID:	103821804
Reduced:	N2O4C17H28 (1)
Stoich.:	A2B4C17D28 (1)
Weight, g/mol:	312.184921
ΔH_f, kcal/mol:	-179.53
Dipole, Da:	3.05
IP(EA), eV:	-7.72(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(2-ethoxy-4-fluoroanilino)propyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)NCCCNC(=O)OC(C)(C)C)OC

DOS

IR

Vibrations