Geometry & MOs

Info

ID:	57628
PubChem CID:	22427255
Reduced:	FO2N5C25H32 (1)
Stoich.:	AB2C5D25E32 (1)
Weight, g/mol:	328.133554
ΔH_f, kcal/mol:	-80.72
Dipole, Da:	1.34
IP(EA), eV:	-8.57(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC1CCCCN1CCCNC(=O)C2=CNN3C2=NC(=C(C3=O)CC4=CC=CC=C4F)C

DOS

IR

Vibrations