Geometry & MOs

Info

ID:	195055
PubChem CID:	78628055
Reduced:	O2N3C22H23 (1)
Stoich.:	A2B3C22D23 (1)
Weight, g/mol:	367.13322
ΔH_f, kcal/mol:	19.02
Dipole, Da:	4.54
IP(EA), eV:	-9.19(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-fluoro-2-methoxyphenyl)methyl 3-(1-benzyltriazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)COC(=O)C=CC2=CN(N=N2)CC3=CC=CC=C3

DOS

IR

Vibrations