Geometry & MOs

Info

ID:	331734
PubChem CID:	127250018
Reduced:	O3N6C22H26 (1)
Stoich.:	A3B6C22D26 (1)
Weight, g/mol:	446.167808
ΔH_f, kcal/mol:	-1.88
Dipole, Da:	3.72
IP(EA), eV:	-8.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(tetrazol-1-yl)-1-[2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC2=NC(=CC=C2)C3CN(CCO3)C(=O)CCN4C=NN=N4

DOS

IR

Vibrations