Geometry & MOs

Info

ID:	205063
PubChem CID:	80050123
Reduced:	N5C11H17 (1)
Stoich.:	A5B11C17 (1)
Weight, g/mol:	260.132491
ΔH_f, kcal/mol:	53.34
Dipole, Da:	4.19
IP(EA), eV:	-8.6(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-fluoro-2-(2-pyridin-4-ylethoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1=CN2C(=NC(=N2)NC(C)(C)CN)C=C1

DOS

IR

Vibrations