Geometry & MOs

Info

ID:	85235
PubChem CID:	49872656
Reduced:	NO2F6H25C29 (1)
Stoich.:	AB2C6D25E29 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	-321.61
Dipole, Da:	3.59
IP(EA), eV:	-9.39(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)methyl]-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

C1CC1(C2=CC(=C(C=C2)C(C3=CC=C(C=C3)F)N4CCC(CC4)(F)F)C5=CC=C(C=C5)C(F)(F)F)C(=O)O

DOS

IR

Vibrations