Geometry & MOs

Info

ID:	248889
PubChem CID:	103085278
Reduced:	F3N5C13H16 (1)
Stoich.:	A3B5C13D16 (1)
Weight, g/mol:	247.14331
ΔH_f, kcal/mol:	-73.86
Dipole, Da:	8.96
IP(EA), eV:	-9.84(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1CC2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations