Geometry & MOs

Info

ID:	360907
PubChem CID:	127301604
Reduced:	O3N4C19H24 (1)
Stoich.:	A3B4C19D24 (1)
Weight, g/mol:	396.146537
ΔH_f, kcal/mol:	-46.03
Dipole, Da:	2.08
IP(EA), eV:	-8.76(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)CN2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCC4

DOS

IR

Vibrations