Geometry & MOs

Info

ID:	449806
PubChem CID:	135301686
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	263.068175
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	1.14
IP(EA), eV:	-8.45(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-1-amino-2-[amino(difluoromethyl)amino]ethenyl]-2,6-difluorobenzaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)N2CCC3(C2)CCN(C3)C(C)C4=CC5=C(N=C4)OCCO5

DOS

IR

Vibrations