Geometry & MOs

Info

ID:	272770
PubChem CID:	103756429
Reduced:	NO3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	228.066555
ΔH_f, kcal/mol:	-126.47
Dipole, Da:	6.69
IP(EA), eV:	-10.35(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(1,4-dioxan-2-ylmethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

C#CCCCCNC(=O)CC1(CCCC1)C(=O)O

DOS

IR

Vibrations