Geometry & MOs

Info

ID:	364458
PubChem CID:	127315710
Reduced:	OSN3C12H19 (1)
Stoich.:	ABC3D12E19 (1)
Weight, g/mol:	272.188863
ΔH_f, kcal/mol:	-17.72
Dipole, Da:	3.96
IP(EA), eV:	-8.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dihydro-1H-inden-5-yl-(4,7-dimethyl-1,4-diazepan-1-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CN=C(S2)C)C

DOS

IR

Vibrations