Geometry & MOs

Info

ID:	197281
PubChem CID:	78946786
Reduced:	ClN2O3C11H15 (1)
Stoich.:	AB2C3D11E15 (1)
Weight, g/mol:	235.168462
ΔH_f, kcal/mol:	-110.52
Dipole, Da:	6.3
IP(EA), eV:	-8.88(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-ethylmorpholin-2-yl)-N-(pyridin-4-ylmethyl)methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)[C@H](CC(=O)N)N)Cl)OC

DOS

IR

Vibrations