Geometry & MOs

Info

ID:	282543
PubChem CID:	103930360
Reduced:	BrON2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-54.83
Dipole, Da:	2.19
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-ethyl-3,3-dimethyl-N-prop-2-ynylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)[C@@H](C(C)(C)C)N)Br

DOS

IR

Vibrations