Geometry & MOs

Info

ID:	276266
PubChem CID:	103821830
Reduced:	F2N2O4C15H20 (1)
Stoich.:	A2B2C4D15E20 (1)
Weight, g/mol:	321.205242
ΔH_f, kcal/mol:	-269.14
Dipole, Da:	2.89
IP(EA), eV:	-9.11(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[2-methyl-4-(methylcarbamoyl)anilino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1=C(C=C(C(=C1)C(=O)O)F)F

DOS

IR

Vibrations