Geometry & MOs

Info

ID:	276123
PubChem CID:	103820744
Reduced:	BrFNO2C10H11 (1)
Stoich.:	ABCD2E10F11 (1)
Weight, g/mol:	188.152478
ΔH_f, kcal/mol:	-116.59
Dipole, Da:	2.61
IP(EA), eV:	-9.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(tert-butylamino)-N-[(2S)-1-hydroxypropan-2-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(=O)C1=CC(=C(C=C1)F)Br

DOS

IR

Vibrations