Geometry & MOs

Info

ID:	59814
PubChem CID:	24898157
Reduced:	N2O2F4C29H30 (1)
Stoich.:	A2B2C4D29E30 (1)
Weight, g/mol:	393.187254
ΔH_f, kcal/mol:	-245.0
Dipole, Da:	6.09
IP(EA), eV:	-8.16(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-methyl-2-[4-(trimethylsilylmethyl)triazol-1-yl]phenyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C=CC3=C(C=CC=C32)NCC(CC(C)(C)C4=C(C=CC(=C4)F)O)(C(F)(F)F)O)C

DOS

IR

Vibrations