Geometry & MOs

Info

ID:	284410
PubChem CID:	104046468
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-50.86
Dipole, Da:	2.94
IP(EA), eV:	-9.11(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-cyclopropyl-2-[(6-methylpyridin-3-yl)methylamino]acetate

Drug info:

PubChemData

Smile

CC1=CC=C(S1)CNC(C2CC2)C(=O)OC

DOS

IR

Vibrations