Geometry & MOs

Info

ID:	251946
PubChem CID:	103108019
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	341.04874
ΔH_f, kcal/mol:	-132.71
Dipole, Da:	5.45
IP(EA), eV:	-8.38(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(4-bromo-2,5-diethylpyrazol-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NCC1=CC2=C(C(=C1)OC)OCO2

DOS

IR

Vibrations