Geometry & MOs

Info

ID:	183998
PubChem CID:	77101020
Reduced:	O3C18H26 (1)
Stoich.:	A3B18C26 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-132.22
Dipole, Da:	1.58
IP(EA), eV:	-8.67(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3,5-diethyl-1,2,4-triazol-1-yl)-2-ethylbut-2-enoate

Drug info:

PubChemData

Smile

CCC(=CCOC1=C(C=CC(=C1)C)C(C)(C)C)C(=O)OC

DOS

IR

Vibrations