Geometry & MOs

Info

ID:	350556
PubChem CID:	127278524
Reduced:	ClON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	370.156039
ΔH_f, kcal/mol:	12.28
Dipole, Da:	5.89
IP(EA), eV:	-9.13(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NN1C2=CC=CC=C2Cl)C(=O)N3CCCC3C4CCC4

DOS

IR

Vibrations