Geometry & MOs

Info

ID:	61109
PubChem CID:	26705749
Reduced:	OSF3N5H10C15 (1)
Stoich.:	ABC3D5E10F15 (1)
Weight, g/mol:	353.148789
ΔH_f, kcal/mol:	-65.76
Dipole, Da:	7.17
IP(EA), eV:	-9.49(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethoxyphenyl)-N-[4-(tetrazol-1-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)N3C=NN=N3)SC(F)(F)F

DOS

IR

Vibrations