Geometry & MOs

Info

ID:	296010
PubChem CID:	117550113
Reduced:	NO2C14H19 (1)
Stoich.:	AB2C14D19 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-35.0
Dipole, Da:	6.02
IP(EA), eV:	-9.43(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(dimethylamino)phenyl]oxetan-3-yl]butan-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2(COC2)C3(COC3)CN

DOS

IR

Vibrations