Geometry & MOs

Info

ID:	350883
PubChem CID:	127279171
Reduced:	N3O3C20H25 (1)
Stoich.:	A3B3C20D25 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	-15.41
Dipole, Da:	1.79
IP(EA), eV:	-8.7(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(1-cyclopropyltetrazol-5-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC4=NC(=NO4)C5CC5

DOS

IR

Vibrations