Geometry & MOs

Info

ID:	364621
PubChem CID:	127315873
Reduced:	ON4C19H32 (1)
Stoich.:	AB4C19D32 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-59.02
Dipole, Da:	1.77
IP(EA), eV:	-9.54(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1-benzofuran-3-yl-(2-methyl-1,4-oxazepan-4-yl)methanone

Drug info:

PubChemData

Smile

CCCC(CC1CCCCC1)C(=O)NC2CCC3=NC(=NN3C2)C

DOS

IR

Vibrations