Geometry & MOs

Info

ID:	247669
PubChem CID:	103072621
Reduced:	BrO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	236.200097
ΔH_f, kcal/mol:	-68.16
Dipole, Da:	5.56
IP(EA), eV:	-9.33(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CCCNCC(=C)CN1C=C(C(=O)NC1=O)Br

DOS

IR

Vibrations