Geometry & MOs

Info

ID:	208569
PubChem CID:	80546284
Reduced:	FON2C17H19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	242.199428
ΔH_f, kcal/mol:	-54.04
Dipole, Da:	1.77
IP(EA), eV:	-9.4(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-4-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]but-2-enoate

Drug info:

PubChemData

Smile

CC(C(C1=CC=CC=C1)N)C(=O)NCC2=CC=CC=C2F

DOS

IR

Vibrations