Geometry & MOs

Info

ID:	248853
PubChem CID:	103084993
Reduced:	O2N5C14H21 (1)
Stoich.:	A2B5C14D21 (1)
Weight, g/mol:	290.149124
ΔH_f, kcal/mol:	9.85
Dipole, Da:	7.37
IP(EA), eV:	-8.75(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[1-[1-(3-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)N2C(=NN=N2)C(C)NC)OCC

DOS

IR

Vibrations