Geometry & MOs

Info

ID:	427916
PubChem CID:	135165476
Reduced:	NOF3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	167.131014
ΔH_f, kcal/mol:	-198.46
Dipole, Da:	0.7
IP(EA), eV:	-9.7(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(prop-1-en-2-ylamino)methyl]pent-1-en-3-one

Drug info:

PubChemData

Smile

CC(C)C(=O)/C=C/CN1CC(C(C1)(F)F)(C)F

DOS

IR

Vibrations