Geometry & MOs

Info

ID:	349155
PubChem CID:	127274881
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	-50.47
Dipole, Da:	7.01
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethyl-5-pyridin-3-yloxypyrazol-4-yl)oxolane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N2C(=CC(=N2)C(C)(C)C)NC(=O)C3CCCN3C(=O)C

DOS

IR

Vibrations