Geometry & MOs

Info

ID:	364497
PubChem CID:	127315749
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	295.225977
ΔH_f, kcal/mol:	-13.37
Dipole, Da:	5.42
IP(EA), eV:	-9.05(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4,7-dimethyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]-2-methylpropan-1-one

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=CC(=NN2C)C)C

DOS

IR

Vibrations