Geometry & MOs

Info

ID:	431935
PubChem CID:	135172062
Reduced:	O2N5C26H39 (1)
Stoich.:	A2B5C26D39 (1)
Weight, g/mol:	415.283492
ΔH_f, kcal/mol:	-67.03
Dipole, Da:	7.1
IP(EA), eV:	-8.2(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCCC1)C2=C(C=C(C=C2)C(C)CC(=O)O)NC3=NN4CCCCC4=N3

DOS

IR

Vibrations