Geometry & MOs

Info

ID:	358718
PubChem CID:	127296532
Reduced:	OSN4C20H30 (1)
Stoich.:	ABC4D20E30 (1)
Weight, g/mol:	346.225643
ΔH_f, kcal/mol:	-26.61
Dipole, Da:	2.71
IP(EA), eV:	-8.43(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-2-(4-propoxyazepan-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)CC2=NC(=C3C4=C(CCCC4)SC3=N2)N

DOS

IR

Vibrations