Geometry & MOs

Info

ID:	364601
PubChem CID:	127315853
Reduced:	NO2C15H19 (1)
Stoich.:	AB2C15D19 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-71.06
Dipole, Da:	5.11
IP(EA), eV:	-8.74(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2COC3=CC=CC=C23

DOS

IR

Vibrations