Geometry & MOs

Info

ID:	350928
PubChem CID:	127279216
Reduced:	NOC12H23 (1)
Stoich.:	ABC12D23 (1)
Weight, g/mol:	238.204513
ΔH_f, kcal/mol:	-77.53
Dipole, Da:	1.84
IP(EA), eV:	-8.51(2.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1(CCCN1CC2CCCCO2)C

DOS

IR

Vibrations