Geometry & MOs

Info

ID:	251971
PubChem CID:	103108188
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	2.77
IP(EA), eV:	-9.39(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(2-methylpropyl)-1-(1,3-thiazol-4-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NC(=O)C(CC1=CC=CC=C1)CN

DOS

IR

Vibrations