Geometry & MOs

Info

ID:	230110
PubChem CID:	87570234
Reduced:	O5N12C31H50 (1)
Stoich.:	A5B12C31D50 (1)
Weight, g/mol:	211.064471
ΔH_f, kcal/mol:	-33.75
Dipole, Da:	12.3
IP(EA), eV:	-8.19(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(Z)-2-fluorobut-2-enoxy]-4-nitrobenzene

Drug info:

PubChemData

Smile

CN(C)CCNC1=C2C3=C(C(=C1)C(=O)NC2=O)C(=C(C(=C3C(=O)NNCCN(C)C)C(=O)O)NCCN(C)C)/C(=N/NCCN(C)C)/N

DOS

IR

Vibrations