Geometry & MOs

Info

ID:	201055
PubChem CID:	79484048
Reduced:	NSO2C15H25 (1)
Stoich.:	ABC2D15E25 (1)
Weight, g/mol:	252.200177
ΔH_f, kcal/mol:	-94.76
Dipole, Da:	5.2
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-N-(2-methylpropyl)-3-N-pentan-3-ylbenzene-1,3-diamine

Drug info:

PubChemData

Smile

CCC(CC)N(CC1=CC=C(S1)C(=O)O)CC(C)C

DOS

IR

Vibrations