Geometry & MOs

Info

ID:	282448
PubChem CID:	103927666
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	285.205242
ΔH_f, kcal/mol:	-129.76
Dipole, Da:	6.29
IP(EA), eV:	-10.13(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[ethyl(piperidin-4-yl)carbamoyl]amino]-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)NCCC1=CC=NC=C1

DOS

IR

Vibrations