Geometry & MOs

Info

ID:	200367
PubChem CID:	79377114
Reduced:	N3O3C15H25 (1)
Stoich.:	A3B3C15D25 (1)
Weight, g/mol:	294.157957
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	3.49
IP(EA), eV:	-9.04(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(N-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]anilino)propanoic acid

Drug info:

PubChemData

Smile

CC1C(CCN1C(=O)N2CCN(CC2)CC3CC3)C(=O)O

DOS

IR

Vibrations