Geometry & MOs

Info

ID:	331916
PubChem CID:	127250202
Reduced:	F3N3O3C23H24 (1)
Stoich.:	A3B3C3D23E24 (1)
Weight, g/mol:	396.171002
ΔH_f, kcal/mol:	-240.71
Dipole, Da:	3.23
IP(EA), eV:	-9.34(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-(tetrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CC(=O)N2CCOC(C2)C3=NC=C(C=C3)CC4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations