Geometry & MOs

Info

ID:	350558
PubChem CID:	127278526
Reduced:	SN2O2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	358.156039
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	3.14
IP(EA), eV:	-9.53(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(C1)C2CCCN2C(=O)C3=CC=C(S3)C(=O)N

DOS

IR

Vibrations