Geometry & MOs

Info

ID:	414866
PubChem CID:	135087838
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	303.140533
ΔH_f, kcal/mol:	-22.47
Dipole, Da:	3.7
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)methanamine

Drug info:

PubChemData

Smile

C1[C@H]([C@@H](CN1CCCOCC2=CC=CC=C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations