Geometry & MOs

Info

ID:	414803
PubChem CID:	135087766
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	360.216141
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	3.32
IP(EA), eV:	-8.43(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(1,3-dimethylpyrrolidine-3-carbonyl)-1,4-diazepane-1-carbonyl]-1-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)CC3=CC4=CC(=CC(=C4NC3=O)C)C)O

DOS

IR

Vibrations