Geometry & MOs

Info

ID:	172163
PubChem CID:	75473465
Reduced:	N2O2C10H11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	390.10073
ΔH_f, kcal/mol:	-25.82
Dipole, Da:	8.16
IP(EA), eV:	-8.63(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=CN(N=N2)C3CN(C3)C(=O)C4=CC=C(O4)COC

DOS

IR

Vibrations