Geometry & MOs

Info

ID:	348834
PubChem CID:	127274482
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-58.42
Dipole, Da:	5.99
IP(EA), eV:	-9.04(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)C2=NN(C(=C2)C)C

DOS

IR

Vibrations