Geometry & MOs

Info

ID:	350825
PubChem CID:	127279113
Reduced:	ON2C11H15 (2)
Stoich.:	AB2C11D15 (2)
Weight, g/mol:	343.200825
ΔH_f, kcal/mol:	-0.53
Dipole, Da:	5.03
IP(EA), eV:	-8.89(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-N-[(1-methyltetrazol-5-yl)methyl]cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC4=NN=C(N4C)C5CC5

DOS

IR

Vibrations