Geometry & MOs

Info

ID:	185151
PubChem CID:	77262201
Reduced:	OF3N5C21H24 (1)
Stoich.:	AB3C5D21E24 (1)
Weight, g/mol:	375.064028
ΔH_f, kcal/mol:	-104.6
Dipole, Da:	6.24
IP(EA), eV:	-9.43(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

but-2-enedioic acid;2-(2,3-dichlorophenoxy)-N-methylpent-3-en-1-amine

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N)N(C(C1=CC=C(C=C1)C2=CC=NN2)C(F)(F)F)C3(CC3)C#N

DOS

IR

Vibrations