Geometry & MOs

Info

ID:	172068
PubChem CID:	75460678
Reduced:	N2O3C17H20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	313.109627
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	5.78
IP(EA), eV:	-9.15(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)pyridin-2-one

Drug info:

PubChemData

Smile

CN1C=CC(=CC1=O)C(=O)N(CCOC)CC2=CC=CC=C2

DOS

IR

Vibrations