Geometry & MOs

Info

ID:	288414
PubChem CID:	104316425
Reduced:	ON2C12H26 (1)
Stoich.:	AB2C12D26 (1)
Weight, g/mol:	203.152144
ΔH_f, kcal/mol:	-80.26
Dipole, Da:	1.37
IP(EA), eV:	-8.62(2.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(aminomethyl)oxan-4-yl]oxybutan-2-ol

Drug info:

PubChemData

Smile

CC(CCN1CCCCC1C(C)NC)O

DOS

IR

Vibrations