Geometry & MOs

Info

ID:	250031
PubChem CID:	103093702
Reduced:	NO2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	255.119005
ΔH_f, kcal/mol:	-78.21
Dipole, Da:	3.95
IP(EA), eV:	-8.36(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(3-chloro-4-fluorophenyl)-3-methyl-N-propylbut-3-en-2-amine

Drug info:

PubChemData

Smile

CCCNC(C)/C(=C/C1=CC(=C(C=C1)O)OCC)/C

DOS

IR

Vibrations