Geometry & MOs

Info

ID:	444483
PubChem CID:	135262598
Reduced:	N4O4C29H40 (1)
Stoich.:	A4B4C29D40 (1)
Weight, g/mol:	209.105193
ΔH_f, kcal/mol:	-142.67
Dipole, Da:	1.15
IP(EA), eV:	-8.9(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(benzylamino) 2-hydroxybutanoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C3CCN(CC3)C4CCOC4)C(CC2)(C5=CC(=NC(=N5)C)N6CCOC[C@@H]6CO)O

DOS

IR

Vibrations