Geometry & MOs

Info

ID:	366970
PubChem CID:	127322090
Reduced:	ON3C9H16 (2)
Stoich.:	AB3C9D16 (2)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-44.61
Dipole, Da:	1.72
IP(EA), eV:	-8.66(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azetidin-1-yl)-2-[methyl(1H-pyrazol-5-ylmethyl)amino]ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CN2CCN(CC2)CC(=O)NC3CCN(CC3)C(C)C

DOS

IR

Vibrations