Geometry & MOs

Info

ID:	373314
PubChem CID:	131313123
Reduced:	N3C12H13 (1)
Stoich.:	A3B12C13 (1)
Weight, g/mol:	219.067112
ΔH_f, kcal/mol:	57.63
Dipole, Da:	4.7
IP(EA), eV:	-8.61(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(difluoromethyl)-4,5-difluorophenyl]azetidine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CN2)C(CN)C#N

DOS

IR

Vibrations