Geometry & MOs

Info

ID:	129575
PubChem CID:	51073158
Reduced:	N2O2C11H12 (1)
Stoich.:	A2B2C11D12 (1)
Weight, g/mol:	302.101505
ΔH_f, kcal/mol:	-11.2
Dipole, Da:	2.62
IP(EA), eV:	-9.37(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(3-nitrophenyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCC#N)C(=O)/C=C/C1=CC=CO1

DOS

IR

Vibrations