Geometry & MOs

Info

ID:	281083
PubChem CID:	103852835
Reduced:	N3O3C11H21 (1)
Stoich.:	A3B3C11D21 (1)
Weight, g/mol:	268.215078
ΔH_f, kcal/mol:	-131.51
Dipole, Da:	3.22
IP(EA), eV:	-9.75(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(azepan-1-yl)-2-(2-but-3-enoxyethylamino)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC(=O)NC)NCCOCCC=C

DOS

IR

Vibrations