Geometry & MOs

Info

ID:	298716
PubChem CID:	117654360
Reduced:	O3N5C22H23 (1)
Stoich.:	A3B5C22D23 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	5.37
Dipole, Da:	7.42
IP(EA), eV:	-8.67(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methyl-4-phenylmethoxyphenyl)oxetan-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C2=C(C(CC2=O)CCNC(=O)C3=CC=CC=N3)OC)C)N=[N+]=[N-]

DOS

IR

Vibrations