Geometry & MOs

Info

ID:	364469
PubChem CID:	127315721
Reduced:	FON2C15H21 (1)
Stoich.:	ABC2D15E21 (1)
Weight, g/mol:	278.145285
ΔH_f, kcal/mol:	-77.56
Dipole, Da:	5.38
IP(EA), eV:	-8.88(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=C(C=C2)C)F)C

DOS

IR

Vibrations