Geometry & MOs

Info

ID:	397658
PubChem CID:	135030536
Reduced:	OF3H25C30 (1)
Stoich.:	AB3C25D30 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	3.23
IP(EA), eV:	-9.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[di(propan-2-yl)amino]but-2-ynoate

Drug info:

PubChemData

Smile

C1C2C=CC1C3C2C4C5C6CC(C5C3(C7=C4C=C(C=C7)C(F)(F)F)C(=O)C8=CC=CC=C8)C=C6

DOS

IR

Vibrations