Geometry & MOs

Info

ID:	350555
PubChem CID:	127278523
Reduced:	ON4C19H26 (1)
Stoich.:	AB4C19D26 (1)
Weight, g/mol:	372.171689
ΔH_f, kcal/mol:	6.65
Dipole, Da:	5.17
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-(2-cyclobutylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)CN1C2=NC=C(C=C2C=N1)C(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations