Geometry & MOs

Info

ID:	314480
PubChem CID:	126621890
Reduced:	FO3N6H25C26 (1)
Stoich.:	AB3C6D25E26 (1)
Weight, g/mol:	275.199762
ΔH_f, kcal/mol:	-3.34
Dipole, Da:	5.83
IP(EA), eV:	-8.68(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-butoxybut-3-enyl)-4,5-bis[(Z)-prop-1-enyl]triazole

Drug info:

PubChemData

Smile

COC1CN(C1)CC2=CC3=C(N=C2)OC4=C3N=C(N=C4N5CCOCC5)C6=C7C(=CC=C6)NC=C7F

DOS

IR

Vibrations