Geometry & MOs

Info

ID:	130111
PubChem CID:	51074953
Reduced:	ClFNO3C15H15 (1)
Stoich.:	ABCD3E15F15 (1)
Weight, g/mol:	222.148061
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	2.67
IP(EA), eV:	-9.36(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)C(=O)NCCCOCC2=CC=CO2)F

DOS

IR

Vibrations