Geometry & MOs

Info

ID:	322550
PubChem CID:	126670483
Reduced:	NPO2H24C27 (1)
Stoich.:	ABC2D24E27 (1)
Weight, g/mol:	308.158786
ΔH_f, kcal/mol:	-21.44
Dipole, Da:	4.1
IP(EA), eV:	-8.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(2-cyclobutylidene-1,1-difluoroethyl)phenyl]acetate

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)C3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6P2(=O)C(C)C)N

DOS

IR

Vibrations