Geometry & MOs

Info

ID:	251601
PubChem CID:	103105212
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	243.138305
ΔH_f, kcal/mol:	-99.59
Dipole, Da:	2.0
IP(EA), eV:	-10.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-fluoropropyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)C(C)C(=O)NC)C(C)C

DOS

IR

Vibrations