Geometry & MOs

Info

ID:	251603
PubChem CID:	103105234
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	5.2
IP(EA), eV:	-9.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(furan-2-ylmethyl)-5-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2C)C(C)C

DOS

IR

Vibrations