Geometry & MOs

Info

ID:	368070
PubChem CID:	127327171
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	294.230728
ΔH_f, kcal/mol:	-41.94
Dipole, Da:	5.91
IP(EA), eV:	-9.08(0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-2-(4-tert-butylazepane-1-carbonyl)pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1C)C(=O)N2CCCC(CC2)C(C)(C)C

DOS

IR

Vibrations