Geometry & MOs

Info

ID:	364484
PubChem CID:	127315736
Reduced:	NOC8H11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	292.160935
ΔH_f, kcal/mol:	-58.83
Dipole, Da:	4.11
IP(EA), eV:	-8.73(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2CC3=CC=CC=C3O2)C

DOS

IR

Vibrations