Geometry & MOs

Info

ID:	350888
PubChem CID:	127279176
Reduced:	N3O4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-83.66
Dipole, Da:	1.11
IP(EA), eV:	-8.74(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)cyclohexanamine

Drug info:

PubChemData

Smile

C1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC4=NOC(=N4)C5CCOCC5

DOS

IR

Vibrations