Geometry & MOs

Info

ID:	373606
PubChem CID:	131317765
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-59.63
Dipole, Da:	2.96
IP(EA), eV:	-9.5(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-tert-butyl-6-propylidene-1,4-oxazepan-7-one

Drug info:

PubChemData

Smile

CC1=COC(=N1)C2=NC(=C(O2)C(C)O)CN

DOS

IR

Vibrations