Geometry & MOs

Info

ID:	130940
PubChem CID:	51132433
Reduced:	N2O6H26C27 (1)
Stoich.:	A2B6C26D27 (1)
Weight, g/mol:	361.200156
ΔH_f, kcal/mol:	-173.99
Dipole, Da:	6.48
IP(EA), eV:	-9.21(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-ylmethylcarbamoylamino)ethyl]-2-cyclohexylacetamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)OCC(=O)NCC2=CC(=CC=C2)NC(=O)COC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations