Geometry & MOs

Info

ID:	432026
PubChem CID:	135172158
Reduced:	F3N3O3C26H34 (1)
Stoich.:	A3B3C3D26E34 (1)
Weight, g/mol:	364.199822
ΔH_f, kcal/mol:	-265.21
Dipole, Da:	8.94
IP(EA), eV:	-8.56(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[4-[2-methoxypropyl(2-methylpropyl)amino]-3-nitrophenyl]but-2-enoate

Drug info:

PubChemData

Smile

CC(C)CN(C1CCOCC1)C2=C(C=C(C=C2)C(C)CC(=O)OC)NC3=CN=C(C=C3)C(F)(F)F

DOS

IR

Vibrations