Geometry & MOs

Info

ID:	348843
PubChem CID:	127274491
Reduced:	NO3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	282.194343
ΔH_f, kcal/mol:	-107.7
Dipole, Da:	3.55
IP(EA), eV:	-9.44(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-methyl-1,4-oxazepane-4-carbonyl)piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=CC3=C(COC3)C=C2

DOS

IR

Vibrations