Geometry & MOs

Info

ID:	370450
PubChem CID:	127338944
Reduced:	O3N6C18H20 (1)
Stoich.:	A3B6C18D20 (1)
Weight, g/mol:	273.122575
ΔH_f, kcal/mol:	-38.85
Dipole, Da:	4.09
IP(EA), eV:	-8.72(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyrimidin-2-ylpyrazol-4-yl)oxane-3-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CN(N=C1)C2=NC=CC=N2)N3C(=O)C4CCCCC4C3=O

DOS

IR

Vibrations