Geometry & MOs

Info

ID:	276270
PubChem CID:	103821865
Reduced:	O3N4C15H30 (1)
Stoich.:	A3B4C15D30 (1)
Weight, g/mol:	396.06602
ΔH_f, kcal/mol:	-174.71
Dipole, Da:	4.57
IP(EA), eV:	-9.07(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[4-bromo-2-(trifluoromethyl)anilino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNC1CCN(CC1)CC(=O)N

DOS

IR

Vibrations