Geometry & MOs

Info

ID:	343062
PubChem CID:	127266235
Reduced:	ClN4O4C18H23 (1)
Stoich.:	AB4C4D18E23 (1)
Weight, g/mol:	347.19574
ΔH_f, kcal/mol:	-101.55
Dipole, Da:	6.4
IP(EA), eV:	-9.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3,5-trimethyl-N-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=NC(=C(C=C1)Cl)C(=O)NC2(CCOCC2)C3=NC(=NO3)C(C)C

DOS

IR

Vibrations