Geometry & MOs

Info

ID:	267178
PubChem CID:	103581193
Reduced:	O2N3C10H17 (1)
Stoich.:	A2B3C10D17 (1)
Weight, g/mol:	254.199428
ΔH_f, kcal/mol:	-53.04
Dipole, Da:	4.76
IP(EA), eV:	-9.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-[(2,3-dimethyloxolan-3-yl)amino]ethanone

Drug info:

PubChemData

Smile

CC1C(CCO1)(C)NCC2=NN=C(O2)C

DOS

IR

Vibrations