Geometry & MOs

Info

ID:	192812
PubChem CID:	78315283
Reduced:	BrN4O4C17H19 (1)
Stoich.:	AB4C4D17E19 (1)
Weight, g/mol:	502.283158
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	5.73
IP(EA), eV:	-9.1(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hexoxyphenyl)-6,7-dimethyl-2-(6-methylpyridin-2-yl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CCCCN1C2C(C(=O)NC1=O)N(C(=N2)C3=CC4=C(C=C3Br)OCO4)C

DOS

IR

Vibrations