Geometry & MOs

Info

ID:	432200
PubChem CID:	135172332
Reduced:	ON5H23C24 (1)
Stoich.:	AB5C23D24 (1)
Weight, g/mol:	213.147727
ΔH_f, kcal/mol:	85.03
Dipole, Da:	4.48
IP(EA), eV:	-8.74(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-amino-4-methyl-2-(N'-methylcarbamimidoyl)pent-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CN=C(N=C2C3=CC=C(C=C3)C#N)N4C[C@H]5CNCC4CO5

DOS

IR

Vibrations