Geometry & MOs

Info

ID:	128608
PubChem CID:	51051939
Reduced:	ClN2O2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	298.063968
ΔH_f, kcal/mol:	-98.9
Dipole, Da:	5.13
IP(EA), eV:	-8.15(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-methoxyphenyl)-N-(pyridin-2-ylmethyl)methanamine;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)N)NC(=O)C2CCC2.Cl

DOS

IR

Vibrations