Geometry & MOs

Info

ID:	366874
PubChem CID:	127321776
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	24.87
Dipole, Da:	4.34
IP(EA), eV:	-9.41(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methylazepan-1-yl)-(1-methylpyrrolidin-2-yl)methanone

Drug info:

PubChemData

Smile

CC1CCCCCN1C(=O)C2=CC3=NNN=C3C=C2

DOS

IR

Vibrations