Geometry & MOs

Info

ID:	259598
PubChem CID:	103168931
Reduced:	BrN3C16H28 (1)
Stoich.:	AB3C16D28 (1)
Weight, g/mol:	294.241962
ΔH_f, kcal/mol:	6.13
Dipole, Da:	3.74
IP(EA), eV:	-8.99(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethoxycyclobutyl)-N-methyl-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-amine

Drug info:

PubChemData

Smile

CCCNC(CC1CCC1)CC2=C(C(=NN2CC)C)Br

DOS

IR

Vibrations