Geometry & MOs

Info

ID:	255317
PubChem CID:	103131331
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	-21.75
Dipole, Da:	2.82
IP(EA), eV:	-8.84(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(1-methylpyrazol-3-yl)-2-(oxan-2-yl)ethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(CC2CCCCO2)N

DOS

IR

Vibrations