Geometry & MOs

Info

ID:	251643
PubChem CID:	103105599
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	289.142641
ΔH_f, kcal/mol:	-94.22
Dipole, Da:	4.63
IP(EA), eV:	-9.4(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCO)C2=CC(=CC=C2)OC

DOS

IR

Vibrations