Geometry & MOs

Info

ID:	426663
PubChem CID:	135153228
Reduced:	N2O5C19H28 (1)
Stoich.:	A2B5C19D28 (1)
Weight, g/mol:	456.273656
ΔH_f, kcal/mol:	-144.2
Dipole, Da:	2.27
IP(EA), eV:	-9.41(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[(5-methoxycarbonyl-1H-imidazol-2-yl)amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CC(C)C)C2CCOCC2)[N+](=O)[O-]

DOS

IR

Vibrations