Geometry & MOs

Info

ID:	364416
PubChem CID:	127315655
Reduced:	ON4C13H22 (1)
Stoich.:	AB4C13D22 (1)
Weight, g/mol:	239.199762
ΔH_f, kcal/mol:	-9.85
Dipole, Da:	6.03
IP(EA), eV:	-8.52(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,7-dimethyl-1,4-diazepan-1-yl)-(1-methylpyrrolidin-3-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CCN1C(=O)C2=NN(C(=C2)C)C)C

DOS

IR

Vibrations