Geometry & MOs

Info

ID:	350893
PubChem CID:	127279181
Reduced:	O2N5C17H23 (1)
Stoich.:	A2B5C17D23 (1)
Weight, g/mol:	357.216475
ΔH_f, kcal/mol:	15.16
Dipole, Da:	7.6
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-propan-2-yltetrazol-5-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

CN1C(=NN=N1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCCC4

DOS

IR

Vibrations