Geometry & MOs

Info

ID:	178433
PubChem CID:	76330164
Reduced:	FSO5N8C29H31 (1)
Stoich.:	ABC5D8E29F31 (1)
Weight, g/mol:	277.204179
ΔH_f, kcal/mol:	-39.17
Dipole, Da:	9.61
IP(EA), eV:	-8.29(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[4-(2-ethylbutyl)phenoxy]-N-methoxybutan-1-imine

Drug info:

PubChemData

Smile

CC1COC2=C3N1C=C(C(=O)C3=CC(=C2N4CCN(CC4)C)F)C5=NN(C(=S)N5N)CCC(=O)CC6=CC(=CC=C6)[N+](=O)[O-]

DOS

IR

Vibrations