Geometry & MOs

Info

ID:	282458
PubChem CID:	103927998
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-167.39
Dipole, Da:	5.71
IP(EA), eV:	-9.36(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(hexylcarbamoylamino)-3,3-dimethylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)O)NC(=O)NCC1=CN=C(C=C1)OC

DOS

IR

Vibrations