Geometry & MOs

Info

ID:	209157
PubChem CID:	80632982
Reduced:	SN3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	38.66
Dipole, Da:	4.0
IP(EA), eV:	-8.68(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(4-ethyl-2-nitrophenoxy)pyridin-3-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2CCC3=C(C2)C=CS3)CC(C)N

DOS

IR

Vibrations