Geometry & MOs

Info

ID:	342528
PubChem CID:	127265683
Reduced:	N3O3C18H23 (1)
Stoich.:	A3B3C18D23 (1)
Weight, g/mol:	333.170194
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	1.82
IP(EA), eV:	-8.77(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-5-(2-phenylethenyl)tetrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)OCC2=NN=C(O2)CCCNC(=O)C3CC3

DOS

IR

Vibrations