Geometry & MOs

Info

ID:	447450
PubChem CID:	135282972
Reduced:	O5N6C29H34 (1)
Stoich.:	A5B6C29D34 (1)
Weight, g/mol:	225.034335
ΔH_f, kcal/mol:	-118.71
Dipole, Da:	5.01
IP(EA), eV:	-8.36(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-4-(trimethylazaniumyl)butanoate;zinc

Drug info:

PubChemData

Smile

CC(=C)C(=O)NCCOC(=O)NCC1=CC=C(C=C1)CN2C(=NC3=C2C4=CC=CC=C4N=C3N)COCCOC

DOS

IR

Vibrations