Geometry & MOs

Info

ID:	273694
PubChem CID:	103771777
Reduced:	N2O3C14H20 (1)
Stoich.:	A2B3C14D20 (1)
Weight, g/mol:	223.132077
ΔH_f, kcal/mol:	-134.15
Dipole, Da:	6.77
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(oxan-4-yl)ethyl]-1H-pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=CN1)C(=O)NC(C)C2CCOCC2

DOS

IR

Vibrations