Geometry & MOs

Info

ID:	282487
PubChem CID:	103928746
Reduced:	O2N3C16H25 (1)
Stoich.:	A2B3C16D25 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-89.72
Dipole, Da:	6.74
IP(EA), eV:	-9.25(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations