Geometry & MOs

Info

ID:	141611
PubChem CID:	52902412
Reduced:	N3O6C19H25 (1)
Stoich.:	A3B6C19D25 (1)
Weight, g/mol:	335.184506
ΔH_f, kcal/mol:	-250.36
Dipole, Da:	5.15
IP(EA), eV:	-9.24(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(3-methoxyanilino)-2-[(4-methylpiperazin-4-ium-1-yl)methyl]-4-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C[C@H](CC(=O)NC2=CC=CC=C2C(=O)OC)C(=O)O

DOS

IR

Vibrations