Geometry & MOs

Info

ID:	343145
PubChem CID:	127266318
Reduced:	OF2N2C14H18 (1)
Stoich.:	AB2C2D14E18 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-126.38
Dipole, Da:	2.17
IP(EA), eV:	-9.08(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4,4-dimethylpent-1-yn-3-ylcarbamoylamino)-4-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)NC(C2CC2)C(F)F

DOS

IR

Vibrations