Geometry & MOs

Info

ID:	202314
PubChem CID:	79656107
Reduced:	ON4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-42.05
Dipole, Da:	5.42
IP(EA), eV:	-9.01(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(methylamino)-3-(2-methyl-1,4-oxazepan-4-yl)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CC(C)NC1(CCC(C1)N(C)CC2=NC=CN2C)CO

DOS

IR

Vibrations