Geometry & MOs

Info

ID:	197297
PubChem CID:	78951102
Reduced:	SN2C18H18 (1)
Stoich.:	AB2C18D18 (1)
Weight, g/mol:	264.200177
ΔH_f, kcal/mol:	80.99
Dipole, Da:	2.07
IP(EA), eV:	-8.81(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-N-cyclopropyl-2-fluoro-N-(3-methylbutyl)aniline

Drug info:

PubChemData

Smile

C[C@@H](C1=CN=CC=C1)NCC2=CC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations