Geometry & MOs

Info

ID:	427673
PubChem CID:	135161136
Reduced:	FN3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	275.129712
ΔH_f, kcal/mol:	44.14
Dipole, Da:	4.83
IP(EA), eV:	-8.68(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[(2,3-difluorophenyl)methyl]-1,1-difluorohept-3-en-3-amine

Drug info:

PubChemData

Smile

CCC1=CC(=NN1CC2=CC=CC=C2F)C3=NC=C(C(=N3)NCC4=CC(=C)NC4)F

DOS

IR

Vibrations