Geometry & MOs

Info

ID:	252067
PubChem CID:	103108815
Reduced:	O2N3C11H23 (1)
Stoich.:	A2B3C11D23 (1)
Weight, g/mol:	311.083683
ΔH_f, kcal/mol:	-105.12
Dipole, Da:	6.07
IP(EA), eV:	-9.07(0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(chloromethyl)-1-[(4-fluoro-2-methylphenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(C)C(=O)N(C)C

DOS

IR

Vibrations