Geometry & MOs

Info

ID:	167554
PubChem CID:	74845511
Reduced:	N2O3C25H28 (1)
Stoich.:	A2B3C25D28 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	3.5
IP(EA), eV:	-9.3(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-oxo-N-(3-phenylpropyl)-N-(pyridin-2-ylmethyl)-4a,5,6,7,8,8a-hexahydrochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(=O)C(=CO2)C(=O)N(CCCC3=CC=CC=C3)CC4=CC=NC=C4

DOS

IR

Vibrations