Geometry & MOs

Info

ID:	349306
PubChem CID:	127275093
Reduced:	ON5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	365.267842
ΔH_f, kcal/mol:	48.49
Dipole, Da:	5.74
IP(EA), eV:	-8.95(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methyl-1,4-oxazepan-4-yl)-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CN(CCCO1)CCC2=NN=NN2C3=CC=CC=C3

DOS

IR

Vibrations