Geometry & MOs

Info

ID:	248896
PubChem CID:	103085351
Reduced:	N5C12H17 (1)
Stoich.:	A5B12C17 (1)
Weight, g/mol:	245.164046
ΔH_f, kcal/mol:	88.12
Dipole, Da:	6.62
IP(EA), eV:	-9.68(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-benzyltetrazol-5-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations