Geometry & MOs

Info

ID:	159906
PubChem CID:	57288876
Reduced:	OC8H13 (2)
Stoich.:	AB8C13 (2)
Weight, g/mol:	448.236208
ΔH_f, kcal/mol:	-94.27
Dipole, Da:	0.7
IP(EA), eV:	-8.08(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrol-2-yl]-N-(4-methoxyphenyl)heptanamide

Drug info:

PubChemData

Smile

CCCCCC(C)(C)C1=C(C=CC(=C1)OC)OC

DOS

IR

Vibrations