Geometry & MOs

Info

ID:	145881
PubChem CID:	53607010
Reduced:	ON5C18H19 (1)
Stoich.:	AB5C18D19 (1)
Weight, g/mol:	318.169191
ΔH_f, kcal/mol:	45.74
Dipole, Da:	3.17
IP(EA), eV:	-8.79(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenoxy-3-[2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCCNC3=CC=CC=N3

DOS

IR

Vibrations