Geometry & MOs

Info

ID:	167556
PubChem CID:	74845513
Reduced:	N2O3H28C29 (1)
Stoich.:	A2B3C28D29 (1)
Weight, g/mol:	447.204573
ΔH_f, kcal/mol:	-42.2
Dipole, Da:	6.18
IP(EA), eV:	-9.02(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-N-(3-phenylpropyl)-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)C(=O)N(CC3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=N5

DOS

IR

Vibrations