Geometry & MOs

Info

ID:	142055
PubChem CID:	52973775
Reduced:	N3O6C20H25 (1)
Stoich.:	A3B6C20D25 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-168.37
Dipole, Da:	8.04
IP(EA), eV:	-8.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl)-2-[(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl)oxy]acetamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)N/N=C\2/C(=CC3CCCCC3O2)C(=O)N

DOS

IR

Vibrations