Geometry & MOs

Info

ID:	350891
PubChem CID:	127279179
Reduced:	O2N4C21H28 (1)
Stoich.:	A2B4C21D28 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	4.4
Dipole, Da:	5.97
IP(EA), eV:	-8.56(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine

Drug info:

PubChemData

Smile

CC1=NN=C(N1C2CC2)CN(CC3=CC4=C(C=C3)OCO4)C5CCCCC5

DOS

IR

Vibrations