Geometry & MOs

Info

ID:	432095
PubChem CID:	135172227
Reduced:	N2C11H22 (1)
Stoich.:	A2B11C22 (1)
Weight, g/mol:	512.297426
ΔH_f, kcal/mol:	4.83
Dipole, Da:	2.79
IP(EA), eV:	-8.17(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[bis(2-methylpropyl)amino]-3-[[1-(propoxymethyl)-4-(trifluoromethyl)imidazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

C/C=C\C(=C/C)\NCCCCNC

DOS

IR

Vibrations