Geometry & MOs

Info

ID:	251602
PubChem CID:	103105220
Reduced:	FO2N3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-109.26
Dipole, Da:	2.91
IP(EA), eV:	-10.31(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(2-methylphenyl)methyl]-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations