Geometry & MOs

Info

ID:	180108
PubChem CID:	76579582
Reduced:	FO4N6C31H35 (1)
Stoich.:	AB4C6D31E35 (1)
Weight, g/mol:	242.04582
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	5.13
IP(EA), eV:	-8.83(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[amino-(3-chlorophenyl)methylidene]amino] 2-hydroxypropanoate

Drug info:

PubChemData

Smile

CN1CC(=O)N2C(N1C(=O)NCC3=CC=CC=C3)CN(C(=O)C2CC4=CC=C(C=C4)O)CC5=CC(=C(C=C5)F)N(C)C

DOS

IR

Vibrations