Geometry & MOs

Info

ID:	258261
PubChem CID:	103152389
Reduced:	ON2F3C10H21 (1)
Stoich.:	AB2C3D10E21 (1)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-228.22
Dipole, Da:	5.27
IP(EA), eV:	-9.24(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine

Drug info:

PubChemData

Smile

CC(C)N(CCC(CN)OC)CC(F)(F)F

DOS

IR

Vibrations