Geometry & MOs

Info

ID:	295905
PubChem CID:	117546859
Reduced:	NO2C16H17 (1)
Stoich.:	AB2C16D17 (1)
Weight, g/mol:	205.146664
ΔH_f, kcal/mol:	-18.75
Dipole, Da:	4.85
IP(EA), eV:	-8.45(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-methylpropyl)oxetan-3-yl]aniline

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(COC2)C3=CC=C(C=C3)N

DOS

IR

Vibrations