Geometry & MOs

Info

ID:	255637
PubChem CID:	103133624
Reduced:	ON2C17H34 (1)
Stoich.:	AB2C17D34 (1)
Weight, g/mol:	193.121512
ΔH_f, kcal/mol:	-90.03
Dipole, Da:	3.59
IP(EA), eV:	-8.43(2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azetidin-3-yl)-1-(1-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC1CCC(CC1)(CN)N(CC)CC2CCC(O2)C

DOS

IR

Vibrations