Geometry & MOs

Info

ID:	176586
PubChem CID:	76069479
Reduced:	N2C9H9 (4)
Stoich.:	A2B9C9 (4)
Weight, g/mol:	424.232185
ΔH_f, kcal/mol:	205.65
Dipole, Da:	6.93
IP(EA), eV:	-9.13(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-carboxy-2-(8-imidazol-1-yloctanoylamino)propanoyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=NC2=C(N=NC(=C2N1CC3=CC=CC=C3C4=CC=CC=C4C5NNNN5)CCC6=CC=CC=C6)CCC7=CC=CC=C7

DOS

IR

Vibrations