Geometry & MOs

Info

ID:	348649
PubChem CID:	127273760
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	377.141866
ΔH_f, kcal/mol:	6.22
Dipole, Da:	5.26
IP(EA), eV:	-8.78(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-2-fluorophenyl)-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)CN2N=C(N=N2)C3=CC=CC=C3)N4CCOCC4

DOS

IR

Vibrations