Geometry & MOs

Info

ID:	142960
PubChem CID:	53123227
Reduced:	FOSN5C26H28 (1)
Stoich.:	ABCD5E26F28 (1)
Weight, g/mol:	438.181567
ΔH_f, kcal/mol:	10.87
Dipole, Da:	9.02
IP(EA), eV:	-8.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)C2CCCN(C2)C3=NC4=C(S3)C(=NN4C5=CC=C(C=C5)F)C

DOS

IR

Vibrations