Geometry & MOs

Info

ID:	199366
PubChem CID:	79234259
Reduced:	N2O2C17H26 (1)
Stoich.:	A2B2C17D26 (1)
Weight, g/mol:	278.141913
ΔH_f, kcal/mol:	-77.26
Dipole, Da:	3.0
IP(EA), eV:	-8.53(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(quinolin-4-ylmethoxy)phenyl]ethanamine

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C2CCC3=C(C2N)C=C(C=C3)OC

DOS

IR

Vibrations