Geometry & MOs

Info

ID:	449824
PubChem CID:	135301866
Reduced:	N2O2C10H13 (2)
Stoich.:	A2B2C10D13 (2)
Weight, g/mol:	238.091769
ΔH_f, kcal/mol:	-85.61
Dipole, Da:	3.29
IP(EA), eV:	-9.79(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-1-amino-3-(2,2-difluoroethylimino)prop-1-enyl]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C[C@@H](C(C1)(C(=O)OCC2=CC=CC=C2)N=[N+]=[N-])CC=C

DOS

IR

Vibrations