Geometry & MOs

Info

ID:	142317
PubChem CID:	53016261
Reduced:	ON4C10H12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	249.114713
ΔH_f, kcal/mol:	13.73
Dipole, Da:	6.89
IP(EA), eV:	-8.7(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-methyl-1,4-diazepane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(=O)C=NC2=C1N=C(C=C2)N(C)C

DOS

IR

Vibrations