Geometry & MOs

Info

ID:	311888
PubChem CID:	126598854
Reduced:	N2H42C49 (1)
Stoich.:	A2B42C49 (1)
Weight, g/mol:	206.13068
ΔH_f, kcal/mol:	140.78
Dipole, Da:	1.43
IP(EA), eV:	-7.86(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-butoxyphenyl)oxetane

Drug info:

PubChemData

Smile

CC1(C2=C(C=C3C(=C2)C4=C(N3C5=CC=CC6=CC=CC=C65)C=CC(=C4)C7=CC8=C(C=C7)N(C9=CC=CC=C98)C2=CC=CC=C2)C(C1(C)C)(C)C)C

DOS

IR

Vibrations