Geometry & MOs

Info

ID:	336150
PubChem CID:	127255157
Reduced:	O3N6C22H28 (1)
Stoich.:	A3B6C22D28 (1)
Weight, g/mol:	326.160357
ΔH_f, kcal/mol:	-16.23
Dipole, Da:	9.68
IP(EA), eV:	-8.69(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-(5-phenyl-1H-1,2,4-triazol-3-yl)-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CN(C)C1=NN2C(=NN=C2CCCC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C=C1

DOS

IR

Vibrations