Geometry & MOs

Info

ID:	432005
PubChem CID:	135172133
Reduced:	NO2C12H25 (1)
Stoich.:	AB2C12D25 (1)
Weight, g/mol:	441.23516
ΔH_f, kcal/mol:	-90.88
Dipole, Da:	1.19
IP(EA), eV:	-8.92(1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-[4-[bis(2-methylpropyl)amino]-3-[[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(C1CCC(CC1)OC)OC

DOS

IR

Vibrations