Geometry & MOs

Info

ID:	350822
PubChem CID:	127279110
Reduced:	NO2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	382.236876
ΔH_f, kcal/mol:	-160.62
Dipole, Da:	3.32
IP(EA), eV:	-8.68(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(CC2=CC3=C(C=C2)OCO3)CC(=O)NC4CCOCC4

DOS

IR

Vibrations