Geometry & MOs

Info

ID:	36604
PubChem CID:	8009391
Reduced:	O3N4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	1.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.801437
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R)-butan-2-yl]carbamoyl]-2-(4-tert-butylphenoxy)acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](C1)[C@@H](CNC(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CO4

DOS

IR

Vibrations