Geometry & MOs

Info

ID:	364505
PubChem CID:	127315757
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	292.160935
ΔH_f, kcal/mol:	-59.69
Dipole, Da:	4.06
IP(EA), eV:	-8.67(-0.02)
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-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=C(C=CO2)C)C

DOS

IR

Vibrations