Geometry & MOs

Info

ID:	295588
PubChem CID:	117535492
Reduced:	N2H12C13 (1)
Stoich.:	A2B12C13 (1)
Weight, g/mol:	247.106925
ΔH_f, kcal/mol:	59.95
Dipole, Da:	5.74
IP(EA), eV:	-8.85(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzodioxol-5-yl)-N-methyl-2-(2H-tetrazol-5-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2=CNC=C2C#N

DOS

IR

Vibrations