Geometry & MOs

Info

ID:	292363
PubChem CID:	114917505
Reduced:	N2O4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	289.117489
ΔH_f, kcal/mol:	-165.6
Dipole, Da:	2.06
IP(EA), eV:	-9.61(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-amino-1H-1,2,4-triazole-5-carbonyl)amino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

COCCC(C(=O)NC(CCC1=CC=CC=C1)C(=O)O)N

DOS

IR

Vibrations