Geometry & MOs

Info

ID:	422787
PubChem CID:	135118409
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	367.175673
ΔH_f, kcal/mol:	32.49
Dipole, Da:	2.17
IP(EA), eV:	-9.19(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC(=O)N3C(=N2)N=CN3)OCC4=CC=CC=N4

DOS

IR

Vibrations