Geometry & MOs

Info

ID:	364489
PubChem CID:	127315741
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	268.13872
ΔH_f, kcal/mol:	-14.72
Dipole, Da:	4.94
IP(EA), eV:	-8.74(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-difluorophenyl)-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC=CS2)C

DOS

IR

Vibrations