Geometry & MOs

Info

ID:	130220
PubChem CID:	51075300
Reduced:	N3O4C17H25 (1)
Stoich.:	A3B4C17D25 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	5.14
IP(EA), eV:	-9.02(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

COCCCNC(=O)CN1CCN(CC1)C(=O)C2=CC=CC=C2O

DOS

IR

Vibrations