Geometry & MOs

Info

ID:	146851
PubChem CID:	53759861
Reduced:	ON3C18H25 (1)
Stoich.:	AB3C18D25 (1)
Weight, g/mol:	348.154603
ΔH_f, kcal/mol:	-25.55
Dipole, Da:	4.59
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-[(4-carbamimidoylpiperazine-1-carbonyl)amino]benzoyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCN(CCC)[C@@H]1CC2=C3C(=CN(C3=CC=C2)C(=O)N)C1

DOS

IR

Vibrations