Geometry & MOs

Info

ID:	255627
PubChem CID:	103133566
Reduced:	ON3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	255.231063
ΔH_f, kcal/mol:	-21.24
Dipole, Da:	7.1
IP(EA), eV:	-9.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(5-methyloxolan-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C(CC(=O)C1=NN(C=C1)C)N

DOS

IR

Vibrations