Geometry & MOs

Info

ID:	432036
PubChem CID:	135172168
Reduced:	O3N5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	400.308979
ΔH_f, kcal/mol:	-24.6
Dipole, Da:	4.33
IP(EA), eV:	-7.86(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[cyclohexyl(2-methylpropyl)amino]-3-(cyclopentylamino)phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C3=CN(N=C3C(=O)O)C)NC4=NC5=CC=CC=C5O4

DOS

IR

Vibrations